| CAS Number | 1172351-47-1 |
| Catalog Number | AG000DYI(AGN-PC-0WB2KF) |
| Chemical Name | 2'-Aminobiphenyl-3-carboxylic acid, HCl |
| IUPAC Name | 3-(2-aminophenyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H11NO2.ClH/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16;/h1-8H,14H2,(H,15,16);1H |
| InChI Key | KHSZHOAALBWIQG-UHFFFAOYSA-N |
| MDL Number | MFCD09260476 |
| Molecular Formula | C13H12ClNO2 |
| Molecular Weight | 249.6929 |
| SMILES | Cl.O=C(O)C2(=CC(C1(=C(N)C=CC=C1))=CC=C2) |
| Synonyms | 1172351-47-1,
2'-Amino-[1,1'-biphenyl]-3-carboxylic acid hydrochloride,
2'-Aminobiphenyl-3-carboxylic acid, HCl,
3-(2-aminophenyl)benzoic acid hydrochloride,
CTK7D9477,
KS-00002AR2,
ZX-AT002534,
MFCD09260476,
OR5315,
AKOS026672473,
PS-7489,
[1,1'-Biphenyl]-3-carboxylic acid, 2'-amino-, hydrochloride (1:1),
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.694g/mol |
| Monoisotopic Mass | 249.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number