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89144-82-1 | 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-phenyl-5-(thienyl)-
CAS No: 89144-82-1 Catalog No: AG003YT7 MDL No:MFCD00206516
Product Description
Catalog Number:
AG003YT7
Chemical Name:
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-phenyl-5-(thienyl)-
CAS Number:
89144-82-1
Molecular Formula:
C19H15ClN2S
Molecular Weight:
338.8538
MDL Number:
MFCD00206516
IUPAC Name:
5-(4-chlorophenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
InChI:
InChI=1S/C19H15ClN2S/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
InChI Key:
WHDZQEONHSHILX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=NN(C(C1)c1cccs1)c1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.853g/mol
Monoisotopic Mass:
338.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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