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1174193-87-3 | Ethanone, 1-(3-chlorophenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-
CAS No: 1174193-87-3 Catalog No: AG000EA8 MDL No:
Product Description
Catalog Number:
AG000EA8
Chemical Name:
Ethanone, 1-(3-chlorophenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-
CAS Number:
1174193-87-3
Molecular Formula:
C15H11ClN4O3S
Molecular Weight:
362.7908
IUPAC Name:
5-[2-(3-chlorophenyl)ethylsulfonyl]-1-phenyltetrazole
InChI:
InChI=1S/C15H13ClN4O2S/c16-13-6-4-5-12(11-13)9-10-23(21,22)15-17-18-19-20(15)14-7-2-1-3-8-14/h1-8,11H,9-10H2
InChI Key:
WSKKYACJOAMOKH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)CS(=O)(=O)c1nnnn1c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.045g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.805g/mol
Monoisotopic Mass:
348.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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