| CAS Number | 1201633-84-2 |
| Catalog Number | AG00VUEK(AGN-PC-0WBKOZ) |
| Chemical Name | 3-BROMO-4-METHYLPHENYLACETIC ACID |
| IUPAC Name | 2-(3-bromo-4-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9BrO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | POUORGSHKJVFIC-UHFFFAOYSA-N |
| MDL Number | MFCD18392223 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | C(C(=O)O)c1cc(Br)c(cc1)C |
| Synonyms | 2-(3-bromo-4-methylphenyl)acetic acid,
1201633-84-2,
3-BROMO-4-METHYLPHENYLACETIC ACID,
SCHEMBL1100571,
POUORGSHKJVFIC-UHFFFAOYSA-N,
(3-Bromo-4-methylphenyl)acetic acid,
ZINC57953339,
AKOS016392670,
ACN-049051,
MCULE-5038914253,
NE22040,
DA-14600,
FT-0705514,
Z1778350604,
|
| 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