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88465-34-3 | 1,2-Benzisothiazol-6-amine, N,N-dimethyl-5-nitro-
CAS No: 88465-34-3 Catalog No: AG004BUK MDL No:
Product Description
Catalog Number:
AG004BUK
Chemical Name:
1,2-Benzisothiazol-6-amine, N,N-dimethyl-5-nitro-
CAS Number:
88465-34-3
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
IUPAC Name:
N,N-dimethyl-5-nitro-1,2-benzothiazol-6-amine
InChI:
InChI=1S/C9H9N3O2S/c1-11(2)7-4-9-6(5-10-15-9)3-8(7)12(13)14/h3-5H,1-2H3
InChI Key:
AGQKCVDQZNTICF-UHFFFAOYSA-N
SMILES:
CN(c1cc2sncc2cc1[N+](=O)[O-])C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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