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Home > Nitro Compounds > 3272-42-2
3272-42-2 | Benzene, 1-(methylsulfinyl)-3-nitro-
CAS No: 3272-42-2 Catalog No: AG00I68V MDL No:
Product Description
Catalog Number:
AG00I68V
Chemical Name:
Benzene, 1-(methylsulfinyl)-3-nitro-
CAS Number:
3272-42-2
IUPAC Name:
1-methylsulfinyl-3-nitrobenzene
InChI:
InChI=1S/C7H7NO3S/c1-12(11)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChI Key:
ARRRUECVLDIJAY-UHFFFAOYSA-N
NSC Number:
131877
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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