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16133-95-2 | Sulfide, p-chlorobenzyl p-nitrobenzyl (8CI)
CAS No: 16133-95-2 Catalog No: AG001SD6 MDL No:
Product Description
Catalog Number:
AG001SD6
Chemical Name:
Sulfide, p-chlorobenzyl p-nitrobenzyl (8CI)
CAS Number:
16133-95-2
Molecular Formula:
C14H12ClNO2S
Molecular Weight:
293.7686
IUPAC Name:
1-[(4-chlorophenyl)methylsulfanylmethyl]-4-nitrobenzene
InChI:
InChI=1S/C14H12ClNO2S/c15-13-5-1-11(2-6-13)9-19-10-12-3-7-14(8-4-12)16(17)18/h1-8H,9-10H2
InChI Key:
ZARZEUSENWTEGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CSCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
114528
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.765g/mol
Monoisotopic Mass:
293.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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