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Home > Nitro Compounds > 89840-77-7
89840-77-7 | Benzenesulfonamide, N,N-bis(1-methylethyl)-3-nitro-
CAS No: 89840-77-7 Catalog No: AG003XLL MDL No:
Product Description
Catalog Number:
AG003XLL
Chemical Name:
Benzenesulfonamide, N,N-bis(1-methylethyl)-3-nitro-
CAS Number:
89840-77-7
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
IUPAC Name:
3-nitro-N,N-di(propan-2-yl)benzenesulfonamide
InChI:
InChI=1S/C12H18N2O4S/c1-9(2)13(10(3)4)19(17,18)12-7-5-6-11(8-12)14(15)16/h5-10H,1-4H3
InChI Key:
XAZHGHKHQUDNRF-UHFFFAOYSA-N
SMILES:
CC(N(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])C(C)C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.346g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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