| CAS Number | 521069-39-6 |
| Catalog Number | AG00I9BL(AGN-PC-0CMUZY) |
| Chemical Name | methyl 2-bromo-5-acetamidobenzoate |
| IUPAC Name | methyl 5-acetamido-2-bromobenzoate |
| InChI | InChI=1S/C10H10BrNO3/c1-6(13)12-7-3-4-9(11)8(5-7)10(14)15-2/h3-5H,1-2H3,(H,12,13) |
| InChI Key | WZEICCRWPIHKCK-UHFFFAOYSA-N |
| MDL Number | MFCD27578327 |
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 272.0953 |
| SMILES | COC(=O)c1cc(ccc1Br)NC(=O)C |
| Synonyms | Methyl 5-acetamido-2-bromobenzoate,
521069-39-6,
SCHEMBL1917983,
WZEICCRWPIHKCK-UHFFFAOYSA-N,
methyl 5-acetylamino-2-bromobenzoate,
ZINC97756794,
AKOS022188129,
METHYL 2-BROMO-5-ACETAMIDOBENZOATE,
AJ-138490,
5-Acetylamino-2-bromo-benzoic acid methyl ester,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.098g/mol |
| Monoisotopic Mass | 270.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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