3-(2-Fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid
Basic information
- CAS
1261940-37-7- Standard SMILES
COC(=O)c1ccc(F)c(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1- InChIKey
YCARNWOUZACVPZ-UHFFFAOYSA-N- Molecular formula
- C15H10FNO6
- Average molar mass
- 319.24 g/mol
- Monoisotopic mass
- 319.0492152
Names & identifiers
- Preferred name
- 3-(2-Fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid
- IUPAC
- 3-(2-fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid
Names & synonyms
1261940-37-73-(2-FLUORO-5-METHOXYCARBONYLPHENYL)-5-NITROBENZOIC ACIDMFCD18322118DTXSID906914813-(2-fluoro-5-methoxycarbonyl-phenyl)-5-nitro-benzoic acid3-(2-Fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid, 95%2'-Fluoro-5'-(methoxycarbonyl)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261940-37-7- PubChem CID
- 53227948
- DTXSID
DTXSID90691481
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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