| CAS Number | 1006463-99-5 |
| Catalog Number | AG0002JR(AGN-PC-00UXBP) |
| Chemical Name | 3-(3-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(3-chlorophenyl)-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C15H12ClN3/c16-12-6-4-5-11(9-12)14-10-15(17)19(18-14)13-7-2-1-3-8-13/h1-10H,17H2 |
| InChI Key | ZSAALVSCHDALKE-UHFFFAOYSA-N |
| MDL Number | MFCD06738764 |
| Molecular Formula | C15H12ClN3 |
| Molecular Weight | 269.7289 |
| SMILES | NC1N(C2=CC=CC=C2)N=C(C2=CC(Cl)=CC=C2)C=1 |
| Synonyms | 3-(3-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine,
1006463-99-5,
5-(3-CHLORO-PHENYL)-2-PHENYL-2H-PYRAZOL-3-YLAMINE,
AC1Q51IQ,
CTK6H2439,
DTXSID50585392,
ZINC9580263,
5159AH,
MFCD06738764,
AKOS001274361,
AB27838,
MCULE-6820711309,
AJ-59575,
DB-058470,
RT-016712,
FT-0770360,
EN300-24743,
A-7232,
1H-Pyrazol-5-amine, 3-(3-chlorophenyl)-1-phenyl-,
C15H12ClN3,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.732g/mol |
| Monoisotopic Mass | 269.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number