| CAS Number | 120240-65-5 |
| Catalog Number | AG0098DD(AGN-PC-0PEG60) |
| Chemical Name | 3-(2-Bromophenyl)-2-oxopropanoic acid |
| IUPAC Name | 3-(2-bromophenyl)-2-oxopropanoic acid |
| InChI | InChI=1S/C9H7BrO3/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13) |
| InChI Key | LPTGSFCWLPDCIT-UHFFFAOYSA-N |
| MDL Number | MFCD09932553 |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.0541 |
| SMILES | OC(C(CC1=C(Br)C=CC=C1)=O)=O |
| Synonyms | 3-(2-bromophenyl)-2-oxopropanoic acid,
120240-65-5,
3-(2-Bromophenyl)pyruvic acid,
SCHEMBL4411791,
LPTGSFCWLPDCIT-UHFFFAOYSA-N,
ARJ102973,
3-(2-bromophenyl)2-oxopropionic acid,
AKOS000174062,
Benzenepropanoic acid, 2-broMo-.alpha.-oxo-,
2-bromo-a-oxo-benzenepropanoic acid,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.056g/mol |
| Monoisotopic Mass | 241.958g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number