| CAS Number | 956438-99-6 |
| Catalog Number | AG019N1V(AGN-PC-0WO0GA) |
| Chemical Name | 1-(2,6-Dichlorobenzyl)-1h-pyrazol-5-amine |
| IUPAC Name | 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C10H9Cl2N3/c11-8-2-1-3-9(12)7(8)6-15-10(13)4-5-14-15/h1-5H,6,13H2 |
| InChI Key | RBBUZPGMZQSXCP-UHFFFAOYSA-N |
| MDL Number | MFCD08271844 |
| Molecular Formula | C10H9Cl2N3 |
| Molecular Weight | 242.1046 |
| SMILES | NC1N(CC2=C(Cl)C=CC=C2Cl)N=CC=1 |
| Synonyms | 1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-amine,
1-(2,6-dichlorobenzyl)-1H-pyrazol-5-amine,
956438-99-6,
AC1OFMK0,
AC1Q52C2,
SCHEMBL11654507,
CTK6H2987,
ZINC4219185,
AKOS000200585,
MCULE-2694522349,
NE22300,
EN300-39176,
2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine,
ZINC04219185,
CID7131921,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.103g/mol |
| Monoisotopic Mass | 241.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number