| CAS Number | 37777-77-8 |
| Catalog Number | AG01AV02 |
| Chemical Name | 2-(2-Bromo-6-chlorophenyl)acetic acid |
| IUPAC Name | 2-(2-bromo-6-chlorophenyl)acetic acid |
| InChI | InChI=1S/C8H6BrClO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | KTPDPINDCZGYEC-UHFFFAOYSA-N |
| MDL Number | MFCD18390580 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | C1=CC(=C(C(=C1)Br)CC(=O)O)Cl |
| Synonyms | 2-(2-bromo-6-chlorophenyl)acetic acid,
37777-77-8,
SCHEMBL17410055,
ZINC71606006,
AKOS024114429,
SC-30906,
2-(2-bromanyl-6-chloranyl-phenyl)ethanoic acid,
A807730,
Z2509351102,
|A-Bromo-2-chlorophenylacetic acid,
141109-25-3,
29270-30-2,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number