| CAS Number | 887244-17-9 |
| Catalog Number | AG00IFCS(AGN-PC-0WOJW6) |
| Chemical Name | 4-(3-Fluorophenyl)-2-nitrobenzoic acid |
| IUPAC Name | 4-(3-fluorophenyl)-2-nitrobenzoic acid |
| InChI | InChI=1S/C13H8FNO4/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(7-9)15(18)19/h1-7H,(H,16,17) |
| InChI Key | OMNHCDRYKAFBCX-UHFFFAOYSA-N |
| MDL Number | MFCD14700015 |
| Molecular Formula | C13H8FNO4 |
| Molecular Weight | 261.2053 |
| SMILES | Fc1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O |
| Synonyms | 4-(3-FLUOROPHENYL)-2-NITROBENZOIC ACID,
887244-17-9,
SCHEMBL5195739,
DTXSID70673407,
OMNHCDRYKAFBCX-UHFFFAOYSA-N,
MFCD14700015,
ZINC47204909,
3'-Fluoro-3-nitro-4-biphenylcarboxylic acid,
3'-Fluoro-3-nitrobiphenyl-4-carboxylic acid,
V8703,
3'-Fluoro-3-nitro[1,1'-biphenyl]-4-carboxylic acid,
C13H8FNO4,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.208g/mol |
| Monoisotopic Mass | 261.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number