| CAS Number | 199678-18-7 |
| Catalog Number | AG002C9K(AGN-PC-09Q0ET) |
| Chemical Name | 4-(3-Aminocarbonylphenyl)benzoic acid |
| IUPAC Name | 4-(3-carbamoylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11NO3/c15-13(16)12-3-1-2-11(8-12)9-4-6-10(7-5-9)14(17)18/h1-8H,(H2,15,16)(H,17,18) |
| InChI Key | RJUGNNOOCRDGDQ-UHFFFAOYSA-N |
| MDL Number | MFCD18312619 |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.2420 |
| SMILES | NC(=O)c1cccc(c1)c2ccc(cc2)C(=O)O |
| Synonyms | 199678-18-7,
4-(3-AMINOCARBONYLPHENYL)BENZOIC ACID,
4-(3-CARBAMOYLPHENYL)BENZOIC ACID,
3'-Carbamoyl-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-209f4l,
SCHEMBL1867695,
CTK4E2858,
DTXSID40683290,
ANW-23875,
MFCD18312619,
ZINC65339756,
AJ-115271,
TC-112620,
B-7708,
3'-Carbamoyl[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 3'-(aminocarbonyl)-,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.246g/mol |
| Monoisotopic Mass | 241.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number