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Home > Nitro Compounds > 150640-22-5
150640-22-5 | Benzene, 1-methyl-4-[(nitromethyl)thio]-
CAS No: 150640-22-5 Catalog No: AG001MS3 MDL No:
Product Description
Catalog Number:
AG001MS3
Chemical Name:
Benzene, 1-methyl-4-[(nitromethyl)thio]-
CAS Number:
150640-22-5
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
1-methyl-4-(nitromethylsulfanyl)benzene
InChI:
InChI=1S/C8H9NO2S/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3
InChI Key:
AXNUHBABCKCLGA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC[N+](=O)[O-]
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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