| CAS Number | 1190222-97-9 |
| Catalog Number | AG0095R5 |
| Chemical Name | 4-(3-nitrophenyl)-1H-Pyrazole |
| IUPAC Name | 4-(3-nitrophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H7N3O2/c13-12(14)9-3-1-2-7(4-9)8-5-10-11-6-8/h1-6H,(H,10,11) |
| InChI Key | KLYSLFRVYACGED-UHFFFAOYSA-N |
| MDL Number | MFCD22741328 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | O=[N+](C1=CC(C2=CNN=C2)=CC=C1)[O-] |
| Synonyms | 4-(3-nitrophenyl)-1H-pyrazole,
1190222-97-9,
SCHEMBL1015607,
KLYSLFRVYACGED-UHFFFAOYSA-N,
ZINC89780854,
AKOS033422052,
MCULE-6928599628,
NE34607,
DA-14817,
FT-0736911,
Z1551476024,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number