Cloguanamil - ≥95% , CAS No.21702-93-2

CAS: 21702-93-2 Cat. No.: C1291573 Formula: C₉H₈ClN₅O Peso molecolare: 237.64 Numero EC: 839-423-8

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C=C1NC(=O)N=C(N)N)Cl)C#N
• IUPAC Name: 1-(3-chloro-4-cyanophenyl)-3-(diaminomethylidene)urea
• InChIKey: FEYBPSKVORXMON-UHFFFAOYSA-N
• INCHI: 1S/C9H8ClN5O/c10-7-3-6(2-1-5(7)4-11)14-9(16)15-8(12)13/h1-3H,(H5,12,13,14,15,16)
• Peso molecolare: 237.64

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: Benzonitriles Chlorobenzenes Aryl chlorides Organic carbonic acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Organopnictogen compounds Organochlorides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Guanidine - Carbonic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Imine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - 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: 237.640 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 237.042 Da
• Monoisotopic Mass: 237.042 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 343.000
• 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