| CAS Number | 42718-15-0 |
| Catalog Number | AG00CISG |
| Chemical Name | Methyl 2-amino-2-(4-bromophenyl)acetate |
| IUPAC Name | methyl 2-amino-2-(4-bromophenyl)acetate |
| InChI | InChI=1S/C9H10BrNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3 |
| InChI Key | YERRTOUSFSZICJ-UHFFFAOYSA-N |
| MDL Number | MFCD12151724 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | COC(C(C1=CC=C(Br)C=C1)N)=O |
| Synonyms | Methyl 2-amino-2-(4-bromophenyl)acetate,
42718-15-0,
(S)-Methyl 2-amino-2-(4-bromophenyl)acetate,
F2147-0610,
AC1MC9MN,
SCHEMBL3504026,
YERRTOUSFSZICJ-UHFFFAOYSA-N,
DL-4-Bromophenylglycine methyl ester,
MFCD12151724,
AKOS005207895,
MCULE-6679757194,
Amino(4-bromophenyl)acetic acid methyl ester,
Amino-(4-bromo-phenyl)-acetic acid methyl ester,
DL-4-BROMOPHENYLGLYCINE,
CID2764323,
1213363-95-1,
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| Complexity | 179 |
| 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
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Certificate of Analysis
Lot Number