| CAS Number | 362530-16-3 |
| Catalog Number | AG00I76K(AGN-PC-0RBXGM) |
| Chemical Name | 2-(3-Bromophenyl)-4-methylpentanoic acid |
| IUPAC Name | 2-(3-bromophenyl)-4-methylpentanoic acid |
| InChI | InChI=1S/C12H15BrO2/c1-8(2)6-11(12(14)15)9-4-3-5-10(13)7-9/h3-5,7-8,11H,6H2,1-2H3,(H,14,15) |
| InChI Key | RTNLSQASZHIGDN-UHFFFAOYSA-N |
| MDL Number | MFCD16340131 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | CC(CC(C1=CC(Br)=CC=C1)C(O)=O)C |
| Synonyms | 2-(3-BROMOPHENYL)-4-METHYLPENTANOIC ACID,
362530-16-3,
(R)-2-(3-BROMOPHENYL)-4-METHYLPENTANOIC ACID,
513246-79-2,
SCHEMBL1492705,
RTNLSQASZHIGDN-UHFFFAOYSA-N,
MFCD16340131,
AKOS015947750,
MCULE-8084560328,
DA-06428,
NS-04356,
FT-0747410,
Benzeneacetic acid, 3-bromo-a-(2-methylpropyl)-,
Benzeneacetic acid, 3-bromo-alpha-(2-methylpropyl)-,
CID11065539,
2-(3-bromophenyl)-4-methyl-pentanoic Acid,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number