| CAS Number | 6025-56-5 |
| Catalog Number | AG01AI7F(AGN-PC-00JROY) |
| Chemical Name | 3-(Phenylamino)benzoic acid |
| IUPAC Name | 3-anilinobenzoic acid |
| InChI | InChI=1S/C13H11NO2/c15-13(16)10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16) |
| InChI Key | RCHSJRJPIWLNPN-UHFFFAOYSA-N |
| MDL Number | MFCD19381866 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | OC(C1=CC(NC2=CC=CC=C2)=CC=C1)=O |
| Synonyms | 3-(phenylamino)benzoic acid,
6025-56-5,
3-anilinobenzoic acid,
3-Phenylamino Benzoic Acid,
CHEMBL1682198,
Benzoic acid, 3-(phenylamino)-,
SCHEMBL4345076,
CTK1J0292,
DTXSID20511446,
RCHSJRJPIWLNPN-UHFFFAOYSA-N,
BDBM50337279,
ZINC39316388,
AKOS022651019,
MCULE-5043377442,
NE21469,
EN300-76930,
Z1318256186,
Benzoicacid,3-(phenylamino)-,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number