3-Fluorobenzophenone - ≥98% , CAS No.345-69-7

CAS: 345-69-7 Cat. No.: F578734 분자식: C₁₃H₉FO 분자량: 200.21 EC 번호: 642-541-0

GRADE & PURITY ≥98%

Synonyms

m-fluorobenzophenone | (3-Fluorophenyl)(Phenyl)Methanone | AMY31897 | FT-0631993 | A822280 | (3-Fluoro-phenyl)-phenyl-methanone | (3-fluorophenyl)-phenylmethanone | AKOS005258040 | AS-40392 | SCHEMBL3834026 | DTXSID60381403 | 3-Fluorobenzophenone | MFCD00

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

동의어

m-fluorobenzophenone | (3-Fluorophenyl)(Phenyl)Methanone | AMY31897 | FT-0631993 | A822280 | (3-Fluoro-phenyl)-phenyl-methanone | (3-fluorophenyl)-phenylmethanone | AKOS005258040 | AS-40392 | SCHEMBL3834026 | DTXSID60381403 | 3-Fluorobenzophenone | MFCD00

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488193829

정식 스마일

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F

IUPAC Name

(3-fluorophenyl)-phenylmethanone

InChIKey

NCIYZALOQBXNLW-UHFFFAOYSA-N

INCHI

1S/C13H9FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H

이성체 SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F

분자량

200.21

Reaxy-Rn

2047052

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047052&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

화학 및 물리적 특성

• 감도: Light sensitive
• 녹는점(°C): 48-52°C
• 분자량: 200.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.064 Da
• Monoisotopic Mass: 200.064 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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