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Home > Nitro Compounds > 113784-60-4
113784-60-4 | Benzothiazole, 2-hydrazinyl-4,6-dinitro-
CAS No: 113784-60-4 Catalog No: AG0009O8 MDL No:
Product Description
Catalog Number:
AG0009O8
Chemical Name:
Benzothiazole, 2-hydrazinyl-4,6-dinitro-
CAS Number:
113784-60-4
Molecular Formula:
C7H5N5O4S
Molecular Weight:
255.2107
IUPAC Name:
(4,6-dinitro-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C7H5N5O4S/c8-10-7-9-6-4(12(15)16)1-3(11(13)14)2-5(6)17-7/h1-2H,8H2,(H,9,10)
InChI Key:
KDOMLVCIOJYCKG-UHFFFAOYSA-N
SMILES:
NNc1nc2c(s1)cc(cc2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.208g/mol
Monoisotopic Mass:
255.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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