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30388-44-4 | Benzenamine, N-methyl-4-(methylsulfonyl)-2-nitro-
CAS No: 30388-44-4 Catalog No: AG002ZYN MDL No:MFCD01016949
Product Description
Catalog Number:
AG002ZYN
Chemical Name:
Benzenamine, N-methyl-4-(methylsulfonyl)-2-nitro-
CAS Number:
30388-44-4
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
MDL Number:
MFCD01016949
IUPAC Name:
N-methyl-4-methylsulfonyl-2-nitroaniline
InChI:
InChI=1S/C8H10N2O4S/c1-9-7-4-3-6(15(2,13)14)5-8(7)10(11)12/h3-5,9H,1-2H3
InChI Key:
SGWXKSCZDKMSLI-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
EC Number:
250-171-2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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