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Home > Nitro Compounds > 83016-65-3
83016-65-3 | Benzene, 1-nitro-4-[(triphenylmethyl)thio]-
CAS No: 83016-65-3 Catalog No: AG0053LI MDL No:
Product Description
Catalog Number:
AG0053LI
Chemical Name:
Benzene, 1-nitro-4-[(triphenylmethyl)thio]-
CAS Number:
83016-65-3
Molecular Formula:
C25H19NO2S
Molecular Weight:
397.4889
IUPAC Name:
1-nitro-4-tritylsulfanylbenzene
InChI:
InChI=1S/C25H19NO2S/c27-26(28)23-16-18-24(19-17-23)29-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H
InChI Key:
IGJRNFTYPIYDEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.492g/mol
Monoisotopic Mass:
397.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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