| CAS Number | 1261948-82-6 |
| Catalog Number | AG000S7Q(AGN-PC-09NZSX) |
| Chemical Name | 3-Amino-5-(3-fluoro-2-methylphenyl)benzoic acid |
| IUPAC Name | 3-amino-5-(3-fluoro-2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H12FNO2/c1-8-12(3-2-4-13(8)15)9-5-10(14(17)18)7-11(16)6-9/h2-7H,16H2,1H3,(H,17,18) |
| InChI Key | CJNNLHJGPSVYML-UHFFFAOYSA-N |
| MDL Number | MFCD18319594 |
| Molecular Formula | C14H12FNO2 |
| Molecular Weight | 245.2490 |
| SMILES | Nc1cc(cc(c1)c1cccc(c1C)F)C(=O)O |
| Synonyms | 1261948-82-6,
3-AMINO-5-(3-FLUORO-2-METHYLPHENYL)BENZOIC ACID,
5-Amino-3'-fluoro-2'-methyl-[1,1'-biphenyl]-3-carboxylic acid,
ACMC-209b71,
CTK8A9796,
DTXSID10689244,
ANW-18779,
MFCD18319594,
ZINC65350047,
AJ-115432,
TC-107524,
B-6940,
[1,1'-Biphenyl]-3-carboxylic acid, 5-amino-3'-fluoro-2'-methyl-,
5-Amino-3'-fluoro-2'-methyl[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.253g/mol |
| Monoisotopic Mass | 245.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number