| CAS Number | 893737-78-5 |
| Catalog Number | AG003ISO(AGN-PC-0WP1U2) |
| Chemical Name | 3'-Acetamidobiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(3-acetamidophenyl)benzoic acid |
| InChI | InChI=1S/C15H13NO3/c1-10(17)16-14-7-3-5-12(9-14)11-4-2-6-13(8-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19) |
| InChI Key | PKQLIAIJVCDASV-UHFFFAOYSA-N |
| MDL Number | MFCD06802367 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | CC(NC1=CC(C2=CC(C(O)=O)=CC=C2)=CC=C1)=O |
| Synonyms | 3'-Acetamidobiphenyl-3-carboxylic acid,
893737-78-5,
3-(3-acetamidophenyl)benzoic acid,
3'-(Acetylamino)[1,1'-biphenyl]-3-carboxylic acid,
3-Acetamidobiphenyl-3-carboxylic acid,
CTK5G3002,
DTXSID90602471,
MFCD06802367,
ZINC16947112,
AKOS004114851,
TR-038272,
BB 0223447,
3'-Acetamido[1,1'-biphenyl]-3-carboxylic acid,
AV7,
3'-acetamidobiphenyl-3-carboxylicacid,
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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 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number