| CAS Number | 926209-46-3 |
| Catalog Number | AG019KLH |
| Chemical Name | 2-{[(2-Bromophenyl)methyl]amino}acetic acid |
| IUPAC Name | 2-[(2-bromophenyl)methylamino]acetic acid |
| InChI | InChI=1S/C9H10BrNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13) |
| InChI Key | KHUZHEPVJSJMMQ-UHFFFAOYSA-N |
| MDL Number | MFCD08443429 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | OC(CNCC1=C(Br)C=CC=C1)=O |
| Synonyms | 2-{[(2-bromophenyl)methyl]amino}acetic acid,
[(2-bromobenzyl)amino]acetic acid,
926209-46-3,
2-(2-bromobenzylamino)acetic acid,
AC1Q7629,
ZINC12505502,
AKOS000126229,
MCULE-4326023014,
NE27735,
2-[(2-Bromophenyl)methylamino]acetic acid,
EN300-27411,
A1-05719,
Glycine, N-[(2-bromophenyl)methyl],
|
| Complexity | 175 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number