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7267-30-3 | 4-Methoxybenzo[d]thiazole-2-carbonitrile
CAS No: 7267-30-3 Catalog No: AG0062U0 MDL No:MFCD11217478
Product Description
Catalog Number:
AG0062U0
Chemical Name:
4-Methoxybenzo[d]thiazole-2-carbonitrile
CAS Number:
7267-30-3
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD11217478
IUPAC Name:
4-methoxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C9H6N2OS/c1-12-6-3-2-4-7-9(6)11-8(5-10)13-7/h2-4H,1H3
InChI Key:
NNVOWTIUIOZIKH-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(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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