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Home > Nitro Compounds > 4131-11-7
4131-11-7 | 2-(ethanesulfonyl)-1-methyl-4-nitrobenzene
CAS No: 4131-11-7 Catalog No: AG019TC8 MDL No:MFCD21602547
Product Description
Catalog Number:
AG019TC8
Chemical Name:
2-(ethanesulfonyl)-1-methyl-4-nitrobenzene
CAS Number:
4131-11-7
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD21602547
IUPAC Name:
2-ethylsulfonyl-1-methyl-4-nitrobenzene
InChI:
InChI=1S/C9H11NO4S/c1-3-15(13,14)9-6-8(10(11)12)5-4-7(9)2/h4-6H,3H2,1-2H3
InChI Key:
QEVDEQBUZXKVKR-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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