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Home > Nitro Compounds > 1335140-32-3
1335140-32-3 | 5-methanesulfonyl-1,2-dimethyl-3-nitrobenzene
CAS No: 1335140-32-3 Catalog No: AG01BGN3 MDL No:MFCD28139398
Product Description
Catalog Number:
AG01BGN3
Chemical Name:
5-methanesulfonyl-1,2-dimethyl-3-nitrobenzene
CAS Number:
1335140-32-3
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD28139398
IUPAC Name:
1,2-dimethyl-5-methylsulfonyl-3-nitrobenzene
InChI:
InChI=1S/C9H11NO4S/c1-6-4-8(15(3,13)14)5-9(7(6)2)10(11)12/h4-5H,1-3H3
InChI Key:
HAGDXUCBVIDYTM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)C)S(=O)(=O)C
Properties
Complexity:
340
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:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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