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Home > Nitro Compounds > 89840-76-6
89840-76-6 | Benzenesulfonamide, 3-nitro-N,N-dipropyl-
CAS No: 89840-76-6 Catalog No: AG003YRY MDL No:
Product Description
Catalog Number:
AG003YRY
Chemical Name:
Benzenesulfonamide, 3-nitro-N,N-dipropyl-
CAS Number:
89840-76-6
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
IUPAC Name:
3-nitro-N,N-dipropylbenzenesulfonamide
InChI:
InChI=1S/C12H18N2O4S/c1-3-8-13(9-4-2)19(17,18)12-7-5-6-11(10-12)14(15)16/h5-7,10H,3-4,8-9H2,1-2H3
InChI Key:
VDXRCDGJYBNCSP-UHFFFAOYSA-N
SMILES:
CCCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])CCC
Properties
Complexity:
380
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:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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