| CAS Number | 766520-00-7 |
| Catalog Number | AG00G9PD(AGN-PC-04PHAV) |
| Chemical Name | 5-(3,5-dichlorophenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-(3,5-dichlorophenyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C9H7Cl2N3/c10-6-1-5(2-7(11)3-6)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14) |
| InChI Key | ARQPOUUYHJOGFQ-UHFFFAOYSA-N |
| MDL Number | MFCD16547607 |
| Molecular Formula | C9H7Cl2N3 |
| Molecular Weight | 228.0780 |
| SMILES | NC1=NNC(C2=CC(Cl)=CC(Cl)=C2)=C1 |
| Synonyms | 5-(3,5-dichlorophenyl)-1H-pyrazol-3-amine,
766520-00-7,
AC1Q537Q,
SCHEMBL3339364,
ZINC19440696,
AKOS000178656,
AKOS016905123,
MCULE-8486895831,
NE42864,
AJ-73566,
EN300-63970,
5-(3,5-Dichlorophenyl)-2H-pyrazol-3-ylamine,
Z993967174,
5-(3,5-dichloro-phenyl)-2h-pyrazol-3-ylamine,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.076g/mol |
| Monoisotopic Mass | 227.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number