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Home > Nitro Compounds > 76410-92-9
76410-92-9 | Benzene, 1-(butylsulfinyl)-4-nitro-
CAS No: 76410-92-9 Catalog No: AG00ICQK MDL No:
Product Description
Catalog Number:
AG00ICQK
Chemical Name:
Benzene, 1-(butylsulfinyl)-4-nitro-
CAS Number:
76410-92-9
IUPAC Name:
1-butylsulfinyl-4-nitrobenzene
InChI:
InChI=1S/C10H13NO3S/c1-2-3-8-15(14)10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChI Key:
KIAHOANLDDZNJN-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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