| CAS Number | 1214337-05-9 |
| Catalog Number | AG0014TR(AGN-PC-0WD5WR) |
| Chemical Name | 2-Pyridinecarboxylic acid, 6-chloro-5-fluoro-, methyl ester |
| IUPAC Name | methyl 6-chloro-5-fluoropyridine-2-carboxylate |
| InChI | InChI=1S/C7H5ClFNO2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,1H3 |
| InChI Key | LZGCVVSRZHFYPF-UHFFFAOYSA-N |
| MDL Number | MFCD14698137 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | O=C(OC)C1=NC(Cl)=C(F)C=C1 |
| Synonyms | Methyl 6-chloro-5-fluoropicolinate,
1214337-05-9,
SCHEMBL2593348,
LZGCVVSRZHFYPF-UHFFFAOYSA-N,
MFCD14698137,
ZINC47202568,
AKOS022189780,
DS-9259,
FCH1180145,
AK150316,
AJ-110664,
AX8287483,
methyl 6-chloro-5-fluoropyridine-2-carboxylate,
2-Pyridinecarboxylic acid, 6-chloro-5-fluoro-, methyl ester,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number