| CAS Number | 1172423-27-6 |
| Catalog Number | AG0090PM(AGN-PC-0WB97G) |
| Chemical Name | 1-ethyl-5-methyl-1H-pyrazole-4-carbonyl chloride |
| IUPAC Name | 1-ethyl-5-methylpyrazole-4-carbonyl chloride |
| InChI | InChI=1S/C7H9ClN2O/c1-3-10-5(2)6(4-9-10)7(8)11/h4H,3H2,1-2H3 |
| InChI Key | JXZDLGFZEAKOGB-UHFFFAOYSA-N |
| MDL Number | MFCD03421498 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | N1(N=CC(C(Cl)=O)=C1C)CC |
| Synonyms | 1-ethyl-5-methyl-1H-pyrazole-4-carbonyl chloride,
1172423-27-6,
1-ethyl-5-methylpyrazole-4-carbonyl chloride,
CTK6B3761,
ALBB-009198,
ZINC6125641,
ZX-AN008093,
FCH847596,
MFCD03421498,
SBB073230,
STK505737,
AKOS005171977,
MCULE-9000033931,
TR-061015,
BB 0258272,
R7230,
1H-pyrazole-4-carbonyl chloride, 1-ethyl-5-methyl-,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number