| CAS Number | 102932-05-8 |
| Catalog Number | AG01BIDP(AGN-PC-0NVHT8) |
| Chemical Name | 4-bromo-2-chlorophenyl acetate |
| IUPAC Name | (4-bromo-2-chlorophenyl) acetate |
| InChI | InChI=1S/C8H6BrClO2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4H,1H3 |
| InChI Key | RWPCQJOZQXSJGQ-UHFFFAOYSA-N |
| MDL Number | MFCD00457516 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | CC(OC1=C(Cl)C=C(Br)C=C1)=O |
| Synonyms | 4-bromo-2-chlorophenyl acetate,
102932-05-8,
(4-bromo-2-chlorophenyl) acetate,
RWPCQJOZQXSJGQ-UHFFFAOYSA-N,
Phenol,4-bromo-2-chloro-, 1-acetate,
AC1L4QLQ,
ACMC-20c5r7,
AC1Q25UR,
SCHEMBL1021383,
CTK4A1604,
DTXSID90145575,
AKOS033972684,
Acetic acid, 4-bromo-2-chlorophenyl ester,
Z26745892,
(4-bromo-2-chloro-phenyl) Acetate,
AR-1G1198,
CID190463,
110670-30-9,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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