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188672-84-6 | 2-Benzothiazolecarbonitrile, 5-nitro-
CAS No: 188672-84-6 Catalog No: AG002H4L MDL No:
Product Description
Catalog Number:
AG002H4L
Chemical Name:
2-Benzothiazolecarbonitrile, 5-nitro-
CAS Number:
188672-84-6
Molecular Formula:
C8H3N3O2S
Molecular Weight:
205.1933
IUPAC Name:
5-nitro-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H3N3O2S/c9-4-8-10-6-3-5(11(12)13)1-2-7(6)14-8/h1-3H
InChI Key:
NVCBSQGIYMRTGD-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.191g/mol
Monoisotopic Mass:
204.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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