| CAS Number | 66192-04-9 |
| Catalog Number | AG00FHNH(AGN-PC-0OFMZU) |
| Chemical Name | 3-(2-BROMO-4-CHLORO-PHENYL)-PROPIONIC ACID |
| IUPAC Name | 3-(2-bromo-4-chlorophenyl)propanoic acid |
| InChI | InChI=1S/C9H8BrClO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
| InChI Key | XHXKZBOVNCLNHW-UHFFFAOYSA-N |
| MDL Number | MFCD18390609 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | C1=CC(=C(C=C1Cl)Br)CCC(=O)O |
| Synonyms | 3-(2-bromo-4-chlorophenyl)propanoic acid,
66192-04-9,
3-(2-Bromo-4-chloro-phenyl)-propionic acid,
SCHEMBL15287093,
MFCD18390609,
AKOS023475074,
3-(2'-Bromo-4'-chlorophenyl)propionic acid,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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