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7245-31-0 | 1H-Pyrazole, 1,3,5-tris(4-chlorophenyl)-4,5-dihydro-
CAS No: 7245-31-0 Catalog No: AG005HFL MDL No:
Product Description
Catalog Number:
AG005HFL
Chemical Name:
1H-Pyrazole, 1,3,5-tris(4-chlorophenyl)-4,5-dihydro-
CAS Number:
7245-31-0
Molecular Formula:
C21H15Cl3N2
Molecular Weight:
401.7162
IUPAC Name:
2,3,5-tris(4-chlorophenyl)-3,4-dihydropyrazole
InChI:
InChI=1S/C21H15Cl3N2/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)19-11-9-18(24)10-12-19/h1-12,21H,13H2
InChI Key:
UQUWTZKZUKIQBV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.03g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.715g/mol
Monoisotopic Mass:
400.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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