| CAS Number | 1306606-73-4 |
| Catalog Number | AG01AHN7 |
| Chemical Name | 3-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 3-amino-1-(2-nitrophenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C10H7N5O2/c11-5-7-6-14(13-10(7)12)8-3-1-2-4-9(8)15(16)17/h1-4,6H,(H2,12,13) |
| InChI Key | DLMFOQVKULUITM-UHFFFAOYSA-N |
| MDL Number | MFCD18838688 |
| Molecular Formula | C10H7N5O2 |
| Molecular Weight | 229.1949 |
| SMILES | NC1C(C#N)=CN(C2=C([N+]([O-])=O)C=CC=C2)N=1 |
| Synonyms | 3-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile,
1306606-73-4,
EN300-75241,
ZINC68590054,
AKOS017394562,
MCULE-1672692680,
NE46124,
SEL12523920,
Z1267773763,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.199g/mol |
| Monoisotopic Mass | 229.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number