| CAS Number | 888721-65-1 |
| Catalog Number | AG00GU9V(AGN-PC-0VO2PR) |
| Chemical Name | 1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10FNO3/c1-8-2-7-11(13(17)18)12(16)15(8)10-5-3-9(14)4-6-10/h2-7H,1H3,(H,17,18) |
| InChI Key | BTPCWSQBSXUYHV-UHFFFAOYSA-N |
| MDL Number | MFCD12546365 |
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.2218 |
| SMILES | FC1=CC=C(C=C1)N1C(C(=CC=C1C)C(=O)O)=O |
| Synonyms | 1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
888721-65-1,
1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid,
SCHEMBL679510,
KS-00000TWA,
DTXSID40610607,
BTPCWSQBSXUYHV-UHFFFAOYSA-N,
CS-B1047,
MFCD12546365,
ZINC49834975,
AKOS022350834,
QC-5138,
AK549933,
DS-19514,
SY125728,
MFCD12546365 (95%),
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.225g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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