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918880-43-0 | Benzonitrile, 2-(2-hydroxyphenoxy)-5-thiazolo[5,4-d]pyrimidin-2-yl-
CAS No: 918880-43-0 Catalog No: AG006MHE MDL No:
Product Description
Catalog Number:
AG006MHE
Chemical Name:
Benzonitrile, 2-(2-hydroxyphenoxy)-5-thiazolo[5,4-d]pyrimidin-2-yl-
CAS Number:
918880-43-0
Molecular Formula:
C18H10N4O2S
Molecular Weight:
346.3626
IUPAC Name:
2-(2-hydroxyphenoxy)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzonitrile
InChI:
InChI=1S/C18H10N4O2S/c19-8-12-7-11(17-22-13-9-20-10-21-18(13)25-17)5-6-15(12)24-16-4-2-1-3-14(16)23/h1-7,9-10,23H
InChI Key:
QTCFQEHECSYBLI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccccc1O)c1sc2c(n1)cncn2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.052g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.364g/mol
Monoisotopic Mass:
346.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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