| CAS Number | 1396999-37-3 |
| Catalog Number | AG019W2J |
| Chemical Name | 2-[(3-bromophenyl)formamido]-3-hydroxypropanoic acid |
| IUPAC Name | 2-[(3-bromobenzoyl)amino]-3-hydroxypropanoic acid |
| InChI | InChI=1S/C10H10BrNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16) |
| InChI Key | GZDCHOSSDQRVNM-UHFFFAOYSA-N |
| MDL Number | MFCD09943001 |
| Molecular Formula | C10H10BrNO4 |
| Molecular Weight | 288.0947 |
| SMILES | OCC(C(O)=O)NC(C1=CC(Br)=CC=C1)=O |
| Synonyms | 2-[(3-bromophenyl)formamido]-3-hydroxypropanoic acid,
1396999-37-3,
AC1Q7BNH,
CTK8A1361,
AKOS000186639,
AKOS016605210,
MCULE-3450375078,
NE14658,
EN300-50272,
Z98648465,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.097g/mol |
| Monoisotopic Mass | 286.979g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number