| CAS Number | 66192-08-3 |
| Catalog Number | AG00IBKK(AGN-PC-0TJRLR) |
| Chemical Name | 3-(2-Bromophenyl)butanoic acid |
| IUPAC Name | 3-(2-bromophenyl)butanoic acid |
| InChI | InChI=1S/C10H11BrO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | GOMRPAZFPUTDBB-UHFFFAOYSA-N |
| MDL Number | MFCD18380592 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | CC(C1=C(Br)C=CC=C1)CC(O)=O |
| Synonyms | 3-(2-bromophenyl)butanoic acid,
66192-08-3,
AC1Q1QXS,
SCHEMBL1613850,
GOMRPAZFPUTDBB-UHFFFAOYSA-N,
AKOS022934824,
MCULE-5346134558,
NE48493,
Benzenepropanoic acid, 2-bromo-b-methyl-,
3-(2-bromophenyl)-3-methylpropionic acid,
EN300-51827,
Z1245635717,
|
| Complexity | 182 |
| 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 | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number