| CAS Number | 861545-83-7 |
| Catalog Number | AG00IDXO(AGN-PC-0JF44M) |
| Chemical Name | 4,6-Dichloro-5-cyanopicolinic acid |
| IUPAC Name | 4,6-dichloro-5-cyanopyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H2Cl2N2O2/c8-4-1-5(7(12)13)11-6(9)3(4)2-10/h1H,(H,12,13) |
| InChI Key | NOLRVNOZBGZFCN-UHFFFAOYSA-N |
| MDL Number | MFCD24485714 |
| Molecular Formula | C7H2Cl2N2O2 |
| Molecular Weight | 217.0090 |
| SMILES | O=C(O)C1=NC(Cl)=C(C#N)C(Cl)=C1 |
| Synonyms | 4,6-Dichloro-5-cyanopicolinic acid,
861545-83-7,
4,6-dichloro-5-cyanopyridine-2-carboxylic acid,
AK127042,
SCHEMBL20569009,
DTXSID10855982,
KS-00000RA8,
MFCD24485714,
ZINC91301678,
AKOS016012669,
DS-5361,
FCH1795629,
AJ-129814,
AX8248833,
EN300-215733,
Z2130640547,
4,6-Dichloro-5-cyanopicolinicacid,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.005g/mol |
| Monoisotopic Mass | 215.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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