| CAS Number | 741698-83-9 |
| Catalog Number | AG01DNIP(AGN-PC-03YO7S) |
| Chemical Name | 4-Bromo-2-isopropylbenzoic acid |
| IUPAC Name | 4-bromo-2-propan-2-ylbenzoic acid |
| InChI | InChI=1S/C10H11BrO2/c1-6(2)9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13) |
| InChI Key | ZVKWVPUYVKVUSM-UHFFFAOYSA-N |
| MDL Number | MFCD19686186 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | O=C(O)C1=CC=C(Br)C=C1C(C)C |
| Synonyms | 4-Bromo-2-isopropylbenzoic acid,
741698-83-9,
SCHEMBL3194641,
DTXSID20630505,
ZVKWVPUYVKVUSM-UHFFFAOYSA-N,
MFCD19686186,
ZINC67802826,
AKOS026672239,
4-Bromo-2-(propan-2-yl)benzoic acid,
Benzoic acid, 4-bromo-2-(1-methylethyl)-,
4-Bromo-2-isopropylbenzoic acid, AldrichCPR,
FT-0707448,
Z0819,
Q-7135,
C10H11BrO2,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number