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88465-38-7 | 1,2-Benzisothiazol-6-amine, N,N-dihexyl-5-nitro-
CAS No: 88465-38-7 Catalog No: AG004C8T MDL No:
Product Description
Catalog Number:
AG004C8T
Chemical Name:
1,2-Benzisothiazol-6-amine, N,N-dihexyl-5-nitro-
CAS Number:
88465-38-7
Molecular Formula:
C19H29N3O2S
Molecular Weight:
363.5175
IUPAC Name:
N,N-dihexyl-5-nitro-1,2-benzothiazol-6-amine
InChI:
InChI=1S/C19H29N3O2S/c1-3-5-7-9-11-21(12-10-8-6-4-2)17-14-19-16(15-20-25-19)13-18(17)22(23)24/h13-15H,3-12H2,1-2H3
InChI Key:
ZAEVPTIOSMAFAG-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1cc2sncc2cc1[N+](=O)[O-])CCCCCC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.198g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.52g/mol
Monoisotopic Mass:
363.198g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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