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Home > Nitro Compounds > 7703-38-0
7703-38-0 | Benzene, 1-nitro-4-[(phenylthio)methyl]-
CAS No: 7703-38-0 Catalog No: AG005RCE MDL No:MFCD00830432
Product Description
Catalog Number:
AG005RCE
Chemical Name:
Benzene, 1-nitro-4-[(phenylthio)methyl]-
CAS Number:
7703-38-0
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD00830432
IUPAC Name:
1-nitro-4-(phenylsulfanylmethyl)benzene
InChI:
InChI=1S/C13H11NO2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2
InChI Key:
NGWOGIJJDCFNAL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1ccccc1
Properties
Complexity:
240
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:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Inhibitory effects on microbial growth using the derivatives of benzyl phenyl sulfide. | Biocontrol science 20110601 |
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