| CAS Number | 186498-30-6 |
| Catalog Number | AG00AS25(AGN-PC-0QFJ0O) |
| Chemical Name | 3-(4-Bromophenyl)-2,2-dimethylpropanoic acid |
| IUPAC Name | 3-(4-bromophenyl)-2,2-dimethylpropanoic acid |
| InChI | InChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14) |
| InChI Key | WOROXVNNDXPWCP-UHFFFAOYSA-N |
| MDL Number | MFCD13193252 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | BrC1=CC=C(C=C1)CC(C)(C)C(O)=O |
| Synonyms | 3-(4-bromophenyl)-2,2-dimethylpropanoic acid,
186498-30-6,
1-bromo-4-(2-carboxy-2-methylpropyl)benzene,
SCHEMBL5149405,
WOROXVNNDXPWCP-UHFFFAOYSA-N,
ZINC41327532,
AKOS012032977,
4-(2-carboxy-2-methylpropyl)bromobenzene,
l-bromo-4-(2-carboxy-2-methylpropyl)benzene,
F2147-6184,
Z2785966319,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 3 |
| 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