| CAS Number | 16777-78-9 |
| Catalog Number | AG00AQJO(AGN-PC-0MYUR1) |
| Chemical Name | 4-(Phenylcarbamoyl)benzoic acid |
| IUPAC Name | 4-(phenylcarbamoyl)benzoic acid |
| InChI | InChI=1S/C14H11NO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h1-9H,(H,15,16)(H,17,18) |
| InChI Key | LNCHBBZGCITQPQ-UHFFFAOYSA-N |
| MDL Number | MFCD04329722 |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.2420 |
| SMILES | C1(=CC=CC=C1)NC(=O)C1=CC=C(C(=O)O)C=C1 |
| Synonyms | 4-(phenylcarbamoyl)benzoic Acid,
16777-78-9,
N-Phenyl-terephthalamic acid,
CHEMBL69366,
SCHEMBL3659389,
ZINC8727752,
KM3767,
AKOS008084681,
MCULE-6637559509,
CID10105734,
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| Complexity | 302 |
| 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 | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number