| CAS Number | 241496-82-2 |
| Catalog Number | AG003GCQ(AGN-PC-0WOYRA) |
| Chemical Name | 2-Amino-3-(4-bromobenzoyl)benzoic Acid |
| IUPAC Name | 2-amino-3-(4-bromobenzoyl)benzoic acid |
| InChI | InChI=1S/C14H10BrNO3/c15-9-6-4-8(5-7-9)13(17)10-2-1-3-11(12(10)16)14(18)19/h1-7H,16H2,(H,18,19) |
| InChI Key | ZIZCAIMGHAJJPV-UHFFFAOYSA-N |
| MDL Number | MFCD23702171 |
| Molecular Formula | C14H10BrNO3 |
| Molecular Weight | 320.1381 |
| SMILES | C(=O)(c1c(N)c(C(=O)O)ccc1)c1ccc(cc1)Br |
| Synonyms | 2-Amino-3-(4-bromobenzoyl)benzoic Acid,
241496-82-2,
DTXSID90746985,
ZINC77270957,
FT-0661593,
J-015366,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.142g/mol |
| Monoisotopic Mass | 318.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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