| CAS Number | 153184-13-5 |
| Catalog Number | AG00ANXG(AGN-PC-0Q6IKM) |
| Chemical Name | 2-(2-Bromophenyl)propanoic acid |
| IUPAC Name | 2-(2-bromophenyl)propanoic acid |
| InChI | InChI=1S/C9H9BrO2/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6H,1H3,(H,11,12) |
| InChI Key | HAZQYHDLSHWBEF-UHFFFAOYSA-N |
| MDL Number | MFCD11041474 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | CC(C1=C(Br)C=CC=C1)C(O)=O |
| Synonyms | 2-(2-Bromophenyl)propanoic acid,
153184-13-5,
a-bromophenylpropionic acid,
SCHEMBL214223,
DTXSID60566298,
2-(2-bromophenyl)-propaonic acid,
AKOS017554509,
alpha-Methyl-2-bromobenzeneacetic acid,
SC-50904,
Z-9174,
Benzeneacetic acid, 2-bromo-a-methyl-,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number