| CAS Number | 855756-90-0 |
| Catalog Number | AG003GAK(AGN-PC-0WA5YY) |
| Chemical Name | 2'-Acetamidobiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(2-acetamidophenyl)benzoic acid |
| InChI | InChI=1S/C15H13NO3/c1-10(17)16-14-8-3-2-7-13(14)11-5-4-6-12(9-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19) |
| InChI Key | VFGSKBFJJVRRQN-UHFFFAOYSA-N |
| MDL Number | MFCD06802572 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | C1(C=CC=CC=1C1=CC=CC(=C1)C(O)=O)NC(C)=O |
| Synonyms | 855756-90-0,
2'-Acetamidobiphenyl-3-carboxylic acid,
2'-Acetamido-[1,1'-biphenyl]-3-carboxylic acid,
2'-(Acetylamino)[1,1'-biphenyl]-3-carboxylic acid,
CTK5F5257,
DTXSID50602492,
MFCD06802572,
ZINC16947595,
AKOS004118974,
AJ-69748,
TR-038013,
BB 0223695,
2'-Acetamido[1,1'-biphenyl]-3-carboxylic acid,
2-Acetamidobiphenyl-3-carboxylic acid,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number