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Home > Nitro Compounds > 20912-17-8
20912-17-8 | Benzene, 1-[(4-methylphenyl)thio]-2-nitro-
CAS No: 20912-17-8 Catalog No: AG002K2F MDL No:
Product Description
Catalog Number:
AG002K2F
Chemical Name:
Benzene, 1-[(4-methylphenyl)thio]-2-nitro-
CAS Number:
20912-17-8
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
IUPAC Name:
1-(4-methylphenyl)sulfanyl-2-nitrobenzene
InChI:
InChI=1S/C13H11NO2S/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChI Key:
UBBFBJSKBNASAJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccccc1[N+](=O)[O-]
NSC Number:
624232
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase. | Antimicrobial agents and chemotherapy 19930401 |
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