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259170-85-9 | Methanone, [5-(4-chlorophenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]phenyl-
CAS No: 259170-85-9 Catalog No: AG002R16 MDL No:
Product Description
Catalog Number:
AG002R16
Chemical Name:
Methanone, [5-(4-chlorophenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]phenyl-
CAS Number:
259170-85-9
Molecular Formula:
C20H13ClN2OS
Molecular Weight:
364.8480
IUPAC Name:
[5-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-1-yl]-phenylmethanone
InChI:
InChI=1S/C20H13ClN2OS/c21-16-10-8-14(9-11-16)18-13-17(19-7-4-12-25-19)22-23(18)20(24)15-5-2-1-3-6-15/h1-13H
InChI Key:
GMHUQNCMDJBXBM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(nn1C(=O)c1ccccc1)c1cccs1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.847g/mol
Monoisotopic Mass:
364.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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