| CAS Number | 76091-02-6 |
| Catalog Number | AG019S6Q(AGN-PC-0WO5JP) |
| Chemical Name | 1-(2-Chlorophenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 1-(2-chlorophenyl)pyrazol-3-amine |
| InChI | InChI=1S/C9H8ClN3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12-13/h1-6H,(H2,11,12) |
| InChI Key | SDVLYOOTZZBLCN-UHFFFAOYSA-N |
| MDL Number | MFCD16845375 |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.6329 |
| SMILES | NC1=NN(C2=CC=CC=C2Cl)C=C1 |
| Synonyms | 1-(2-chlorophenyl)-1H-pyrazol-3-amine,
76091-02-6,
SCHEMBL2359053,
SDVLYOOTZZBLCN-UHFFFAOYSA-N,
ZINC54404768,
AKOS011973085,
NE16121,
1-(2-Chlorophenyl)-1H-pyrazole-3-amine,
1-(2-chloro-phenyl)-1H-pyrazol-3-ylamine,
AM20041132,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.634g/mol |
| Monoisotopic Mass | 193.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number