| CAS Number | 63254-88-6 |
| Catalog Number | AG019YTQ(AGN-PC-0JMJMV) |
| Chemical Name | 2-{[(Benzyloxy)carbonyl]amino}benzoic acid |
| IUPAC Name | 2-(phenylmethoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C15H13NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)(H,17,18) |
| InChI Key | CTJMTYUXEWDGEW-UHFFFAOYSA-N |
| MDL Number | MFCD06223119 |
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.2680 |
| NSC Number | 409214 |
| SMILES | OC(C1=C(NC(OCC2=CC=CC=C2)=O)C=CC=C1)=O |
| Synonyms | 2-{[(benzyloxy)carbonyl]amino}benzoic acid,
63254-88-6,
NSC409214,
2-(phenylmethoxycarbonylamino)benzoic acid,
AC1L8B4L,
SCHEMBL2233522,
CTK2F7141,
DTXSID00325200,
ZINC1601233,
N-(Benzyloxycarbonyl)anthanilic acid,
AKOS000200121,
2-phenylmethoxycarbonylaminobenzoic acid,
MCULE-1560074172,
NE13128,
NSC-409214,
Z192948526,
CID349457,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.272g/mol |
| Monoisotopic Mass | 271.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number