| CAS Number | 1031433-06-3 |
| Catalog Number | AG0093KL(AGN-PC-0WD2WY) |
| Chemical Name | 6-Chloro-4-formyl-nicotinic acid hydrate |
| IUPAC Name | 6-chloro-4-formylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H4ClNO3/c8-6-1-4(3-10)5(2-9-6)7(11)12/h1-3H,(H,11,12) |
| InChI Key | WFHBMNIKNOOHOP-UHFFFAOYSA-N |
| MDL Number | MFCD18258739 |
| Molecular Formula | C7H4ClNO3 |
| Molecular Weight | 185.5646 |
| SMILES | O=C(O)C1=CN=C(Cl)C=C1C=O |
| Synonyms | 6-Chloro-4-formylnicotinic acid,
1031433-06-3,
6-Chloro-4-formyl-nicotinic acid,
6-Chloro-4-formyl-nicotinic acid hydrate,
SCHEMBL1553030,
DTXSID20731268,
WFHBMNIKNOOHOP-UHFFFAOYSA-N,
ZINC95630350,
AKOS022172115,
FCH1170807,
QC-8805,
AB0097556,
AJ-133143,
AX8258980,
6-chloro-4-formylpyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 6-chloro-4-formyl-,
Z-9248,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.563g/mol |
| Monoisotopic Mass | 184.988g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number