| CAS Number | 956440-15-6 |
| Catalog Number | AG00J1FT(AGN-PC-0WB3KN) |
| Chemical Name | 1-(3-Chlorobenzyl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-[(3-chlorophenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C10H10ClN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2 |
| InChI Key | IMUYDRBEOFXQGF-UHFFFAOYSA-N |
| MDL Number | MFCD07366364 |
| Molecular Formula | C10H10ClN3 |
| Molecular Weight | 207.6595 |
| SMILES | Clc1cccc(c1)Cn1nccc1N |
| Synonyms | 1-(3-CHLOROBENZYL)-1H-PYRAZOL-5-AMINE,
956440-15-6,
1-[(3-chlorophenyl)methyl]-1H-pyrazol-5-amine,
AC1OFJXF,
SCHEMBL1491127,
CTK5H7912,
DTXSID50427864,
ZINC4218297,
MFCD07366364,
AKOS000263301,
AJ-49040,
2-[(3-chlorophenyl)methyl]pyrazol-3-amine,
DB-028852,
FT-0734110,
Y-2841,
ZINC04218297,
CID7130777,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.661g/mol |
| Monoisotopic Mass | 207.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number