| CAS Number | 588681-97-4 |
| Catalog Number | AG00EGP0(AGN-PC-05W46Y) |
| Chemical Name | 2-(4-Bromo-2-chlorophenoxy)propanoic acid |
| IUPAC Name | 2-(4-bromo-2-chlorophenoxy)propanoic acid |
| InChI | InChI=1S/C9H8BrClO3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13) |
| InChI Key | OINRZNVTDBJWDL-UHFFFAOYSA-N |
| MDL Number | MFCD03422212 |
| Molecular Formula | C9H8BrClO3 |
| Molecular Weight | 279.5150 |
| SMILES | O(C(C)C(O)=O)C1=CC=C(C=C1Cl)Br |
| Synonyms | 2-(4-bromo-2-chlorophenoxy)propanoic acid,
588681-97-4,
AC1MYJK1,
CTK5A9000,
DTXSID30397056,
ALBB-000822,
6207AE,
BBL016839,
MFCD03422212,
STK435925,
AKOS000126024,
AKOS017258699,
MCULE-4118942196,
TR-051259,
ST50844048,
Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-,
Y-0465,
C9H8BrClO3,
CID3832842,
2-(4-bromo-2-chloro-phenoxy)propanoic Acid,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.514g/mol |
| Monoisotopic Mass | 277.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number