| CAS Number | 886499-44-1 |
| Catalog Number | AG00GY57(AGN-PC-0WAOBH) |
| Chemical Name | 2-Chloro-6-fluoro-3-methoxybenzoyl chloride |
| IUPAC Name | 2-chloro-6-fluoro-3-methoxybenzoyl chloride |
| InChI | InChI=1S/C8H5Cl2FO2/c1-13-5-3-2-4(11)6(7(5)9)8(10)12/h2-3H,1H3 |
| InChI Key | STGRVLVQFDZTON-UHFFFAOYSA-N |
| MDL Number | MFCD04115943 |
| Molecular Formula | C8H5Cl2FO2 |
| Molecular Weight | 223.0285 |
| SMILES | ClC1=C(C=CC(=C1C(=O)Cl)F)OC |
| Synonyms | 2-Chloro-6-fluoro-3-methoxybenzoyl chloride,
886499-44-1,
AC1MWARQ,
SCHEMBL24923,
CTK7A1327,
JRD-1466,
ZINC2527866,
MFCD04115943,
SBB096422,
AKOS015956728,
FCH1366986,
JS-4290,
PC302385,
CID3696549,
2-chloro-6-fluoro-3-methoxy-benzoyl Chloride,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.024g/mol |
| Monoisotopic Mass | 221.965g/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