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1372784-40-1 | 1H-Tetrazole, 5-[[2-(4-chlorophenyl)ethyl]sulfonyl]-1-phenyl-
CAS No: 1372784-40-1 Catalog No: AG00131K MDL No:MFCD21604145
Product Description
Catalog Number:
AG00131K
Chemical Name:
1H-Tetrazole, 5-[[2-(4-chlorophenyl)ethyl]sulfonyl]-1-phenyl-
CAS Number:
1372784-40-1
Molecular Formula:
C15H13ClN4O2S
Molecular Weight:
348.8073
MDL Number:
MFCD21604145
IUPAC Name:
5-[2-(4-chlorophenyl)ethylsulfonyl]-1-phenyltetrazole
InChI:
InChI=1S/C15H13ClN4O2S/c16-13-8-6-12(7-9-13)10-11-23(21,22)15-17-18-19-20(15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChI Key:
NAKVUIUBKDCGGQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CCS(=O)(=O)c1nnnn1c1ccccc1
Properties
Complexity:
470
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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