| CAS Number | 248920-11-8 |
| Catalog Number | AG002PRD(AGN-PC-01UW5Q) |
| Chemical Name | 2-(2-Bromo-3-Methylphenyl)Acetic Acid |
| IUPAC Name | 2-(2-bromo-3-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9BrO2/c1-6-3-2-4-7(9(6)10)5-8(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | JZMWDWZVHXNEEF-UHFFFAOYSA-N |
| MDL Number | MFCD18392219 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | O=C(O)CC1=CC=CC(C)=C1Br |
| Synonyms | 2-(2-bromo-3-methylphenyl)acetic acid,
248920-11-8,
2-bromo-3-methylphenyl acetic acid,
SCHEMBL5925081,
JZMWDWZVHXNEEF-UHFFFAOYSA-N,
2-Bromo-3-methylbenzeneacetic acid,
MFCD18392219,
ZINC84506920,
AKOS023446080,
Benzeneacetic acid, 2-bromo-3-methyl-,
DS-10270,
Z2684418682,
|
| 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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number