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130593-25-8 | 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)
CAS No: 130593-25-8 Catalog No: AG00A3QA MDL No:
Product Description
Catalog Number:
AG00A3QA
Chemical Name:
2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)
CAS Number:
130593-25-8
IUPAC Name:
6-hydroxy-4-methyl-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C9H6N2OS/c1-5-2-6(12)3-7-9(5)11-8(4-10)13-7/h2-3,12H,1H3
InChI Key:
LBHNLZNMCBRODN-UHFFFAOYSA-N
Properties
Complexity:
249
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:
1
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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