| CAS Number | 1214038-90-0 |
| Catalog Number | AG00HG43 |
| Chemical Name | Methyl 2-amino-2-(2-bromophenyl)acetate |
| IUPAC Name | methyl 2-amino-2-(2-bromophenyl)acetate |
| InChI | InChI=1S/C9H10BrNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3 |
| InChI Key | ZZHFDTYLNHXWLM-UHFFFAOYSA-N |
| MDL Number | MFCD12151737 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | COC(C(C1=C(Br)C=CC=C1)N)=O |
| Synonyms | methyl 2-amino-2-(2-bromophenyl)acetate,
1214038-90-0,
F2147-0608,
AKOS010012911,
MCULE-7057368483,
Amino(2-bromophenyl)acetic acid methyl ester,
Amino-(2-bromo-phenyl)-acetic acid methyl ester,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number