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Home > Nitro Compounds > 341029-57-0
341029-57-0 | 1-Methanesulfonyl-4-methyl-2-nitrobenzene
CAS No: 341029-57-0 Catalog No: AG00I6QO MDL No:MFCD28962793
Product Description
Catalog Number:
AG00I6QO
Chemical Name:
1-Methanesulfonyl-4-methyl-2-nitrobenzene
CAS Number:
341029-57-0
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD28962793
IUPAC Name:
4-methyl-1-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO4S/c1-6-3-4-8(14(2,12)13)7(5-6)9(10)11/h3-5H,1-2H3
InChI Key:
CZVYKJIYDDKUJR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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