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7267-35-8 | 5-Methoxybenzo[d]thiazole-2-carbonitrile
CAS No: 7267-35-8 Catalog No: AG005FNO MDL No:MFCD11217490
Product Description
Catalog Number:
AG005FNO
Chemical Name:
5-Methoxybenzo[d]thiazole-2-carbonitrile
CAS Number:
7267-35-8
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD11217490
IUPAC Name:
5-methoxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C9H6N2OS/c1-12-6-2-3-8-7(4-6)11-9(5-10)13-8/h2-4H,1H3
InChI Key:
VGMJEBGREMDOBT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)C#N
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:
2.4
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