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7267-40-5 | 4,6-Dimethoxybenzo[d]thiazole-2-carbonitrile
CAS No: 7267-40-5 Catalog No: AG005FNM MDL No:MFCD11217706
Product Description
Catalog Number:
AG005FNM
Chemical Name:
4,6-Dimethoxybenzo[d]thiazole-2-carbonitrile
CAS Number:
7267-40-5
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD11217706
IUPAC Name:
4,6-dimethoxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C10H8N2O2S/c1-13-6-3-7(14-2)10-8(4-6)15-9(5-11)12-10/h3-4H,1-2H3
InChI Key:
DHLBNMHRYBZROD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1nc(s2)C#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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