Basic information
- CAS
505082-79-1- Standard SMILES
O=C(O)c1ccc(-c2c(F)cccc2F)cc1- InChIKey
CWWIIKLXUPZDOG-UHFFFAOYSA-N- Molecular formula
- C13H8F2O2
- Average molar mass
- 234.2 g/mol
- Monoisotopic mass
- 234.04923594
Names & identifiers
- Preferred name
- 2',6'-Difluorobiphenyl-4-carboxylic acid
- IUPAC
- 4-(2,6-difluorophenyl)benzoic acid
- English name
- 4-(2,6-Difluorophenyl)benzoic acid
- Molecular formula
- C13H8F2O2
- Molecular weight
- 234.2
Names & synonyms
2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACIDRefChem:4394984-(2,6-difluorophenyl)benzoic acid505082-79-12',6'-Difluoro-[1,1'-biphenyl]-4-carboxylic acidMFCD183126102f7i26CSCHEMBL412438CHEMBL122055DTXSID20416124CWWIIKLXUPZDOG-UHFFFAOYSA-N
Show more names
2',6'-Difluoro[1,1'-biphenyl]-4-carboxylic acid[1,1'-Biphenyl]-4-carboxylic acid, 2',6'-difluoro-
US10278929, Compound 1BDBM383210AKOS013353977DB06935BS-28701PD0057652',6'-Difluoro-4-Biphenylcarboxylic Acid2',6'-Difluoro-biphenyl-4-carboxylic acid
Database identifiers
- CAS
505082-79-1- PubChem CID
- 5327159
- DTXSID
DTXSID20416124- ChEMBL
CHEMBL122055
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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