Basic information
- CAS
60736-70-1- Standard SMILES
O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c1- InChIKey
DFHBBMJTBBLQSA-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.05532196
Names & identifiers
- Preferred name
- Benzofenac
- IUPAC
- 2-(3-chloro-4-phenylmethoxyphenyl)acetic acid
- English name
- [3-chloro-4-(phenylmethoxy)phenyl]acetic acid
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
Benzofenac60736-70-13-chloro-4-benzoyloxyphenylacetic acid3-Chloro-4-(phenylmethoxy)benzeneacetic acidDTXSID20209553benzofacbenzofac VUFBVUFB-96823-CBPAA3-chloro-4-benzyloxyphenacetic acidRefChem:93420DTXCID70132044
Show more names
VUPS-9682Vufb 9682Kyselina 3-chlor-4-benzyloxyfenyloctova2-(4-(benzyloxy)-3-chlorophenyl)acetic acid
262-396-32-(3-chloro-4-phenylmethoxyphenyl)acetic acid3-Chloro-4-benzyloxyphenylacetic acid[4-(benzyloxy)-3-chlorophenyl]acetic acid4-Benzyloxy-3-chlorophenylacetic acidVUFB9682EINECS 262-396-3BRN 2814595
Database identifiers
- CAS
60736-70-1- PubChem CID
- 91676
- DTXSID
DTXSID20209553- ChEMBL
CHEMBL4303431- EC Number
- 262-396-3
- Nikkaji
- J128.641B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
LogP3.43
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
德拜科技有限公司00852-2521 1836
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
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