| CAS Number | 619323-15-8 |
| Catalog Number | AG01B6Z2(AGN-PC-02N327) |
| Chemical Name | 2-(3,4-dibromophenyl)acetic acid |
| IUPAC Name | 2-(3,4-dibromophenyl)acetic acid |
| InChI | InChI=1S/C8H6Br2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | SARHWCIVOIXKHS-UHFFFAOYSA-N |
| MDL Number | MFCD13185527 |
| Molecular Formula | C8H6Br2O2 |
| Molecular Weight | 293.9400 |
| SMILES | OC(CC1=CC(Br)=C(Br)C=C1)=O |
| Synonyms | 2-(3,4-dibromophenyl)acetic acid,
619323-15-8,
3,4-DIBROMOPHENYLACETIC ACID,
SCHEMBL10616039,
ZINC59131794,
AKOS002392989,
FT-0754810,
Z2583036256,
N/A,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.871g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.942g/mol |
| Monoisotopic Mass | 291.873g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number