| CAS Number | 1006471-16-4 |
| Catalog Number | AG0090JK(AGN-PC-0WB96Y) |
| Chemical Name | 1-Ethyl-1H-pyrazole-3-carbonyl chloride |
| IUPAC Name | 1-ethylpyrazole-3-carbonyl chloride |
| InChI | InChI=1S/C6H7ClN2O/c1-2-9-4-3-5(8-9)6(7)10/h3-4H,2H2,1H3 |
| InChI Key | CEKHTRVOULRKCC-UHFFFAOYSA-N |
| MDL Number | MFCD03421428 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | CCN1N=C(C(Cl)=O)C=C1 |
| Synonyms | 1-ethyl-1H-pyrazole-3-carbonyl chloride,
1006471-16-4,
1-ethylpyrazole-3-carbonyl chloride,
CTK6E9723,
ALBB-009209,
ZINC2521282,
BBL037399,
MFCD03421428,
SBB020700,
STK349093,
AKOS000308524,
MCULE-9939046727,
RTR-061024,
1H-pyrazole-3-carbonyl chloride, 1-ethyl-,
AB0170413,
TR-061024,
L-2662,
F2146-0669,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.585g/mol |
| Monoisotopic Mass | 158.025g/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