| CAS Number | 31881-86-4 |
| Catalog Number | AG01C1BD(AGN-PC-0WCMDM) |
| Chemical Name | 2-(2-Bromo-4-methylphenyl)acetic acid |
| IUPAC Name | 2-(2-bromo-4-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9BrO2/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | VENUNMMLXJLOCO-UHFFFAOYSA-N |
| MDL Number | MFCD18392220 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | CC1=CC(Br)=C(CC(O)=O)C=C1 |
| Synonyms | 2-(2-bromo-4-methylphenyl)acetic acid,
31881-86-4,
(2-bromo-4-methylphenyl)acetic acid,
BENZENEACETIC ACID, 2-BROMO-4-METHYL-,
SCHEMBL5925073,
CTK8H8397,
ZINC57953340,
AKOS017552632,
SC-99646,
Z1269232519,
25297-16-9,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number