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39785-48-3 | 2-Benzothiazolecarbonitrile,6-methyl-(9CI)
CAS No: 39785-48-3 Catalog No: AG00CPEH MDL No:
Product Description
Catalog Number:
AG00CPEH
Chemical Name:
2-Benzothiazolecarbonitrile,6-methyl-(9CI)
CAS Number:
39785-48-3
IUPAC Name:
6-methyl-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C9H6N2S/c1-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,1H3
InChI Key:
MYZUJPVHBULAJU-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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