| CAS Number | 1379302-09-6 |
| Catalog Number | AG00144B(AGN-PC-0WAZYU) |
| Chemical Name | 4-Pyridinecarboxylic acid, 2-chloro-3-nitro-, methyl ester |
| IUPAC Name | methyl 2-chloro-3-nitropyridine-4-carboxylate |
| InChI | InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-3-9-6(8)5(4)10(12)13/h2-3H,1H3 |
| InChI Key | IKVUHYWOJCHEGA-UHFFFAOYSA-N |
| MDL Number | MFCD17214977 |
| Molecular Formula | C7H5ClN2O4 |
| Molecular Weight | 216.5786 |
| SMILES | O=C(OC)C1=CC=NC(Cl)=C1[N+]([O-])=O |
| Synonyms | 1379302-09-6,
methyl 2-chloro-3-nitropyridine-4-carboxylate,
Methyl 2-chloro-3-nitroisonicotinate,
4-Pyridinecarboxylic acid, 2-chloro-3-nitro-, methyl ester,
SCHEMBL16563790,
MFCD17214977,
ZINC97757496,
AKOS025290914,
GS-5008,
SB11052,
KS-0000048M,
CS-0049173,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.577g/mol |
| Monoisotopic Mass | 215.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number