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Home > Nitro Compounds > 3058-46-6
3058-46-6 | Benzene, 1-(ethylthio)-2-nitro-
CAS No: 3058-46-6 Catalog No: AG00I5QS MDL No:
Product Description
Catalog Number:
AG00I5QS
Chemical Name:
Benzene, 1-(ethylthio)-2-nitro-
CAS Number:
3058-46-6
IUPAC Name:
1-ethylsulfanyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChI Key:
JARZCLAZRVPFMW-UHFFFAOYSA-N
Properties
Complexity:
158
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:
2.6
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