| CAS Number | 926215-50-1 |
| Catalog Number | AG00JFD4(AGN-PC-0WBBJT) |
| Chemical Name | 3-Chloro-2-(1H-pyrazol-1-yl)aniline |
| IUPAC Name | 3-chloro-2-pyrazol-1-ylaniline |
| InChI | InChI=1S/C9H8ClN3/c10-7-3-1-4-8(11)9(7)13-6-2-5-12-13/h1-6H,11H2 |
| InChI Key | HGSSJLZIMKAPCI-UHFFFAOYSA-N |
| MDL Number | MFCD08700281 |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.6329 |
| SMILES | C1=CC(=C(C(=C1)Cl)N2C=CC=N2)N |
| Synonyms | 3-chloro-2-(1H-pyrazol-1-yl)aniline,
926215-50-1,
3-chloro-2-pyrazolylphenylamine,
AC1Q514N,
CTK7D9311,
MFCD08700281,
SBB024459,
STK510108,
ZINC20353472,
AKOS000131781,
MCULE-3660667814,
NE18203,
ST45054980,
EN300-44941,
Z234893971,
|
| 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