| CAS Number | 1209343-75-8 |
| Catalog Number | AG00HFTD(AGN-PC-0WB2LK) |
| Chemical Name | N-(2-Chloroethyl)-1H-pyrazole-1-carboxamide |
| IUPAC Name | N-(2-chloroethyl)pyrazole-1-carboxamide |
| InChI | InChI=1S/C6H8ClN3O/c7-2-4-8-6(11)10-5-1-3-9-10/h1,3,5H,2,4H2,(H,8,11) |
| InChI Key | GUJCROHYTLTOCA-UHFFFAOYSA-N |
| MDL Number | MFCD11109511 |
| Molecular Formula | C6H8ClN3O |
| Molecular Weight | 173.6002 |
| SMILES | ClCCNC(=O)N1(N=CC=C1) |
| Synonyms | N-(2-Chloroethyl)-1H-pyrazole-1-carboxamide,
1209343-75-8,
CTK6H8431,
KS-00002AW0,
ZX-AT003306,
FCH836695,
MFCD11109511,
ZINC44676149,
AKOS006280791,
OR16157,
PS-8641,
1-[(2-Chloroethyl)carbamoyl]-1H-pyrazole,
K-1490,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.6g/mol |
| Monoisotopic Mass | 173.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number