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Home > Nitro Compounds > 89840-79-9
89840-79-9 | Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro-
CAS No: 89840-79-9 Catalog No: AG003XLK MDL No:
Product Description
Catalog Number:
AG003XLK
Chemical Name:
Benzenesulfonamide, N,N-bis(2-methylpropyl)-3-nitro-
CAS Number:
89840-79-9
Molecular Formula:
C14H22N2O4S
Molecular Weight:
314.4005
IUPAC Name:
N,N-bis(2-methylpropyl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H22N2O4S/c1-11(2)9-15(10-12(3)4)21(19,20)14-7-5-6-13(8-14)16(17)18/h5-8,11-12H,9-10H2,1-4H3
InChI Key:
FSACVEJPRMIXQX-UHFFFAOYSA-N
SMILES:
CC(CN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])CC(C)C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.4g/mol
Monoisotopic Mass:
314.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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