| CAS Number | 1183581-39-6 |
| Catalog Number | AG00HEHR(AGN-PC-0WOQ9W) |
| Chemical Name | methyl 2-amino-2-(3-bromophenyl)propanoate |
| IUPAC Name | methyl 2-amino-2-(3-bromophenyl)propanoate |
| InChI | InChI=1S/C10H12BrNO2/c1-10(12,9(13)14-2)7-4-3-5-8(11)6-7/h3-6H,12H2,1-2H3 |
| InChI Key | SBLKKJBRKIWUQH-UHFFFAOYSA-N |
| MDL Number | MFCD12151658 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | NC(C(=O)OC)(C)C1=CC(=CC=C1)Br |
| Synonyms | methyl 2-amino-2-(3-bromophenyl)propanoate,
1183581-39-6,
methyl 2-(3-bromophenyl)alaninate,
(RS)-2-amino-2-(3-bromo-phenyl)-propionic acid methyl ester,
AC1Q41NZ,
SCHEMBL245200,
DTXSID10679100,
SBLKKJBRKIWUQH-UHFFFAOYSA-N,
MFCD12151658,
AKOS005363048,
MCULE-6458183128,
BS-12230,
EN300-72518,
Z1266823293,
rac-2-amino-2-(3-bromo-phenyl)-propionic acid methyl ester,
Benzeneacetic acid, ?-amino-3-bromo-?-methyl-, methyl ester,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number