| CAS Number | 207864-21-9 |
| Catalog Number | AG00I3ZF(AGN-PC-0WCLX0) |
| Chemical Name | (4-Bromo-benzoylamino)-acetic acid ethyl ester |
| IUPAC Name | ethyl 2-[(4-bromobenzoyl)amino]acetate |
| InChI | InChI=1S/C11H12BrNO3/c1-2-16-10(14)7-13-11(15)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15) |
| InChI Key | RZHQSSALRGKQJK-UHFFFAOYSA-N |
| MDL Number | MFCD00701884 |
| Molecular Formula | C11H12BrNO3 |
| Molecular Weight | 286.1219 |
| SMILES | CCOC(=O)CNC(=O)C1=CC=C(Br)C=C1 |
| Synonyms | (4-BROMO-BENZOYLAMINO)-ACETIC ACID ETHYL ESTER,
207864-21-9,
ethyl 2-[(4-bromobenzoyl)amino]acetate,
ethyl 2-(4-bromobenzamido)acetate,
N-(4-bromo-benzoyl)-glycine ethyl ester,
AC1MDW7U,
AC1Q34WB,
CTK6F8951,
ZINC3068755,
MFCD00701884,
STL099098,
AKOS003881523,
MCULE-1114860919,
BP-11539,
ethyl 2-[(4-bromophenyl)formamido]acetate,
ethyl N-[(4-bromophenyl)carbonyl]glycinate,
(4-Bromobenzoylamino)acetic acid ethyl ester,
ZINC03068755,
CID2817779,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.125g/mol |
| Monoisotopic Mass | 285g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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