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Home > Nitro Compounds > 20945-69-1
20945-69-1 | 4-Methanesulfonyl-1-methoxy-2-nitrobenzene
CAS No: 20945-69-1 Catalog No: AG00I407 MDL No:MFCD00025070
Product Description
Catalog Number:
AG00I407
Chemical Name:
4-Methanesulfonyl-1-methoxy-2-nitrobenzene
CAS Number:
20945-69-1
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD00025070
IUPAC Name:
1-methoxy-4-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3
InChI Key:
NPQPEWSDPMSLMR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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