| CAS Number | 113948-00-8 |
| Catalog Number | AG009LUX(AGN-PC-0P5LOE) |
| Chemical Name | 2-(2-Bromophenyl)-2-methylpropanoic acid |
| IUPAC Name | 2-(2-bromophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13) |
| InChI Key | FLSGJYHPNFXLSS-UHFFFAOYSA-N |
| MDL Number | MFCD11036927 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | BrC1=C(C=CC=C1)C(C(=O)O)(C)C |
| Synonyms | 2-(2-Bromophenyl)-2-methylpropanoic acid,
113948-00-8,
2-(2-Bromophenyl)-2-methylpropionic acid,
SCHEMBL3136256,
DTXSID40556011,
ZINC33487189,
AKOS012126356,
KS-6794,
MCULE-2374350353,
2-Methyl-2-(2-bromophenyl)propionic acid,
Z1973465444,
2-(2-Bromophenyl)-2-methylpropanoic acid - NEW PRODUCT,
|
| Complexity | 201 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number