| CAS Number | 89520-11-6 |
| Catalog Number | AG0040P2(AGN-PC-0VP557) |
| Chemical Name | N-Bromoacetyl-beta-alanine |
| IUPAC Name | 3-[(2-bromoacetyl)amino]propanoic acid |
| InChI | InChI=1S/C5H8BrNO3/c6-3-4(8)7-2-1-5(9)10/h1-3H2,(H,7,8)(H,9,10) |
| InChI Key | ULKDIPSSLZFIQU-UHFFFAOYSA-N |
| MDL Number | MFCD07369176 |
| Molecular Formula | C5H8BrNO3 |
| Molecular Weight | 210.0259 |
| SMILES | C(CNC(=O)CBr)C(=O)O |
| Synonyms | N-Bromoacetyl-beta-alanine,
89520-11-6,
3-(2-bromoacetamido)propanoic acid,
N-Bromoacetyl-|A-alanine,
N-(Bromoacetyl)-beta-alanine,
SCHEMBL2032064,
CTK8G1697,
DTXSID70571015,
ZINC22052991,
AKOS012990297,
BP-21092,
FT-0663622,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.027g/mol |
| Monoisotopic Mass | 208.969g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number