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943-03-3 | 6-Methoxybenzo[d]thiazole-2-carbonitrile
CAS No: 943-03-3 Catalog No: AG003B7L MDL No:MFCD00010537
Product Description
Catalog Number:
AG003B7L
Chemical Name:
6-Methoxybenzo[d]thiazole-2-carbonitrile
CAS Number:
943-03-3
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD00010537
IUPAC Name:
6-methoxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3
InChI Key:
DEWDWBYQOFXKIH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)C#N
NSC Number:
377382
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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