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7267-41-6 | 4,6-Dihydroxybenzo[d]thiazole-2-carbonitrile
CAS No: 7267-41-6 Catalog No: AG005FNL MDL No:MFCD18813182
Product Description
Catalog Number:
AG005FNL
Chemical Name:
4,6-Dihydroxybenzo[d]thiazole-2-carbonitrile
CAS Number:
7267-41-6
Molecular Formula:
C8H4N2O2S
Molecular Weight:
192.1946
MDL Number:
MFCD18813182
IUPAC Name:
4,6-dihydroxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H4N2O2S/c9-3-7-10-8-5(12)1-4(11)2-6(8)13-7/h1-2,11-12H
InChI Key:
MAPITXHLIVXDRV-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(n1)c(O)cc(c2)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.192g/mol
Monoisotopic Mass:
191.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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