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101858-00-8 | 2-Benzothiazolecarbonitrile,5,6-dimethoxy-(9CI)
CAS No: 101858-00-8 Catalog No: AG009KIF MDL No:
Product Description
Catalog Number:
AG009KIF
Chemical Name:
2-Benzothiazolecarbonitrile,5,6-dimethoxy-(9CI)
CAS Number:
101858-00-8
IUPAC Name:
5,6-dimethoxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C10H8N2O2S/c1-13-7-3-6-9(4-8(7)14-2)15-10(5-11)12-6/h3-4H,1-2H3
InChI Key:
YGQPKDRNTSMOAW-UHFFFAOYSA-N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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