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Home > Nitro Compounds > 3058-47-7
3058-47-7 | Benzene, 1-(methylthio)-2-nitro-
CAS No: 3058-47-7 Catalog No: AG0030L6 MDL No:MFCD03094691
Product Description
Catalog Number:
AG0030L6
Chemical Name:
Benzene, 1-(methylthio)-2-nitro-
CAS Number:
3058-47-7
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD03094691
IUPAC Name:
1-methylsulfanyl-2-nitrobenzene
InChI:
InChI=1S/C7H7NO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChI Key:
LYERWKWSYZQUDA-UHFFFAOYSA-N
SMILES:
CSc1ccccc1[N+](=O)[O-]
NSC Number:
62852
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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