| CAS Number | 947154-37-2 |
| Catalog Number | AG01B1SZ(AGN-PC-0WOUZZ) |
| Chemical Name | 4-chloro-2-(1H-pyrazol-1-yl)aniline |
| IUPAC Name | 4-chloro-2-pyrazol-1-ylaniline |
| InChI | InChI=1S/C9H8ClN3/c10-7-2-3-8(11)9(6-7)13-5-1-4-12-13/h1-6H,11H2 |
| InChI Key | OTUBGBQBWKWFDT-UHFFFAOYSA-N |
| MDL Number | MFCD20696720 |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.6329 |
| SMILES | NC1=C(N2N=CC=C2)C=C(Cl)C=C1 |
| Synonyms | 4-chloro-2-(1H-pyrazol-1-yl)aniline,
947154-37-2,
ZINC74247361,
AKOS017529336,
NE29825,
4-Chloro-2-(1H-pyrazole-1-yl)aniline,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number