| CAS Number | 1321613-02-8 |
| Catalog Number | AG0010BH(AGN-PC-0C7IFZ) |
| Chemical Name | Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester |
| IUPAC Name | methyl 4-bromo-2-chloro-6-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3 |
| InChI Key | MDFGLYHZCDEBLE-UHFFFAOYSA-N |
| MDL Number | MFCD22574196 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | O=C(OC)C1=C(F)C=C(Br)C=C1Cl |
| Synonyms | METHYL 4-BROMO-2-CHLORO-6-FLUOROBENZOATE,
1321613-02-8,
SCHEMBL516651,
DTXSID10728743,
CL8932,
MFCD22574196,
ZINC91693000,
FCH2294154,
PC49657,
AK313165,
DS-11882,
AB0087537,
AX8254375,
X3649,
X-3693,
Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester,
C8H5BrClFO2,
4-bromo-2-chloro-6-fluorobenzoic acid methyl ester,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.478g/mol |
| Monoisotopic Mass | 265.915g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number