| CAS Number | 1505850-20-3 |
| Catalog Number | AG001MQM(AGN-PC-0WCR9F) |
| Chemical Name | Methyl 6-bromo-3-chloro-2-fluorobenzoate |
| IUPAC Name | methyl 6-bromo-3-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3 |
| InChI Key | XLNVTYSVAJKDPU-UHFFFAOYSA-N |
| MDL Number | MFCD27978532 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | COC(C1=C(Br)C=CC(Cl)=C1F)=O |
| Synonyms | Methyl 6-bromo-3-chloro-2-fluorobenzoate,
1505850-20-3,
SCHEMBL20638961,
MFCD27978532,
ZINC75914942,
AKOS023125830,
FCH2515007,
PC48559,
AK162714,
AS-32971,
AX8294759,
AS-813/43501972,
Benzoic acid, 6-bromo-3-chloro-2-fluoro-, methyl ester,
1107695-04-4,
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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 | 3.2 |
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Certificate of Analysis
Lot Number