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Home > Nitro Compounds > 1414944-11-8
1414944-11-8 | 1-((Methylsulfinyl)Methyl)-3-Nitrobenzene
CAS No: 1414944-11-8 Catalog No: AG00HW0T MDL No:
Product Description
Catalog Number:
AG00HW0T
Chemical Name:
1-((Methylsulfinyl)Methyl)-3-Nitrobenzene
CAS Number:
1414944-11-8
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
IUPAC Name:
1-(methylsulfinylmethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H9NO3S/c1-13(12)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
UWKGKAZBUKEURD-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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