1-(4-CHLOROPHENYL)-3-(4-FLUOROPHENYL)UREA , CAS No.404-51-3

CAS: 404-51-3 Cat. No.: C170180 Formula: C₁₃H₁₀ClFN₂O Peso molecolare: 264.689 Numero EC: 666-689-0

Synonyms

1-(4-chlorophenyl)-3-(4-fluorophenyl)urea|404-51-3|N-(4-Chlorophenyl)-N'-(4-fluorophenyl)urea|NSC164143|Cambridge id 5191693|CBDivE_016014|SCHEMBL17119070|DTXSID30304088|KUC112960N|MFCD00018540|STK003366|AKOS000484175|AS-8093|NSC-164143|KSC-213-149-1|CS-0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-(4-chlorophenyl)-3-(4-fluorophenyl)urea | 404-51-3 | N-(4-Chlorophenyl)-N'-(4-fluorophenyl)urea | NSC164143 | Cambridge id 5191693 | CBDivE_016014 | SCHEMBL17119070 | DTXSID30304088 | KUC112960N | MFCD00018540 | STK003366 | AKOS000484175 | AS-8093 | NSC-164143 | KSC-213-149-1 | CS-0

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)F

IUPAC Name

1-(4-chlorophenyl)-3-(4-fluorophenyl)urea

InChIKey

MMAPXNAETQDQNW-UHFFFAOYSA-N

INCHI

1S/C13H10ClFN2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

Isomeri SMILES

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)F

Peso molecolare

264.689

Reaxy-Rn

5555808

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5555808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Ureas Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Urea - Carbonic acid derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 264.680 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.047 Da
• Monoisotopic Mass: 264.047 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 274.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 404-51-3, the molecular formula is C13H10ClFN2O, and the molecular weight is 264.689 g/mol. InChIKey MMAPXNAETQDQNW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.