| CAS Number | 72408-57-2 |
| Catalog Number | AG01AJ12(AGN-PC-0U0JZQ) |
| Chemical Name | 2-Amino-2-(4-bromophenyl)propanoic acid |
| IUPAC Name | 2-amino-2-(4-bromophenyl)propanoic acid |
| InChI | InChI=1S/C9H10BrNO2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3,(H,12,13) |
| InChI Key | LCJMKSWXOYWTFZ-UHFFFAOYSA-N |
| MDL Number | MFCD02662604 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | OC(=O)C(c1ccc(cc1)Br)(N)C |
| Synonyms | 2-amino-2-(4-bromophenyl)propanoic Acid,
72408-57-2,
AC1MKKIC,
SCHEMBL203409,
LCJMKSWXOYWTFZ-UHFFFAOYSA-N,
2-Methyl-2-(4-bromophenyl)glycine,
MFCD02662604,
AKOS000197277,
AKOS016051436,
2-Amino-2-(4-bromo-phenyl)-propionic acid,
Benzeneacetic acid, a-amino-4-bromo-a-methyl-,
SR-01000322830,
SR-01000322830-1,
Benzeneacetic acid, alpha-amino-4-bromo-alpha-methyl-,
Z2234631237,
72408-61-8,
CID3158770,
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| Complexity | 202 |
| 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 | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number