| CAS Number | 1338718-38-9 |
| Catalog Number | AG00HT2P(AGN-PC-0WQXUC) |
| Chemical Name | 5-Chloro-1-cyclopropyl-4-nitro-1H-pyrazole |
| IUPAC Name | 5-chloro-1-cyclopropyl-4-nitropyrazole |
| InChI | InChI=1S/C6H6ClN3O2/c7-6-5(10(11)12)3-8-9(6)4-1-2-4/h3-4H,1-2H2 |
| InChI Key | RQWKGGSXBYDRQI-UHFFFAOYSA-N |
| MDL Number | MFCD25542167 |
| Molecular Formula | C6H6ClN3O2 |
| Molecular Weight | 187.5837 |
| SMILES | O=[N+](C1=C(Cl)N(C2CC2)N=C1)[O-] |
| Synonyms | 5-CHLORO-1-CYCLOPROPYL-4-NITRO-1H-PYRAZOLE,
1338718-38-9,
1H-Pyrazole,5-chloro-1-cyclopropyl-4-nitro-,
SCHEMBL2517797,
RQWKGGSXBYDRQI-UHFFFAOYSA-N,
MFCD25542167,
ZINC95803737,
AS-41827,
FT-0712095,
1H-Pyrazole, 5-chloro-1-cyclopropyl-4-nitro-,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.583g/mol |
| Monoisotopic Mass | 187.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number