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2515-59-5 | 1H-Pyrazole, 5-(4-chlorophenyl)-4,5-dihydro-1,3-diphenyl-
CAS No: 2515-59-5 Catalog No: AG002QND MDL No:MFCD00564712
Product Description
Catalog Number:
AG002QND
Chemical Name:
1H-Pyrazole, 5-(4-chlorophenyl)-4,5-dihydro-1,3-diphenyl-
CAS Number:
2515-59-5
Molecular Formula:
C21H17ClN2
Molecular Weight:
332.8261
MDL Number:
MFCD00564712
IUPAC Name:
3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
InChI Key:
XPFDBXDITJUQMV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
NSC Number:
66226
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.108g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.831g/mol
Monoisotopic Mass:
332.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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