| CAS Number | 1183524-10-8 |
| Catalog Number | AG009LW6(AGN-PC-0WG47V) |
| Chemical Name | 3-(3-Bromophenyl)-2-methylpropionic acid |
| IUPAC Name | 3-(3-bromophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11BrO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13) |
| InChI Key | WAXFQFBSRDYONP-UHFFFAOYSA-N |
| MDL Number | MFCD12152860 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | CC(C(O)=O)CC1=CC(Br)=CC=C1 |
| Synonyms | 3-(3-bromophenyl)-2-methylpropanoic acid,
1183524-10-8,
3-(3-BROMO-PHENYL)-2-METHYL-PROPIONIC ACID,
SCHEMBL10686705,
MFCD12152860,
CS-0036591,
2-(3-Bromobenzyl)propanoic acid,
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| 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 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number