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648896-80-4 | 8-Quinolinol, 2-(1H-1,2,4-triazol-1-yl)-
CAS No: 648896-80-4 Catalog No: AG006RXE MDL No:
Product Description
Catalog Number:
AG006RXE
Chemical Name:
8-Quinolinol, 2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
648896-80-4
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
IUPAC Name:
2-(1,2,4-triazol-1-yl)quinolin-8-ol
InChI:
InChI=1S/C11H8N4O/c16-9-3-1-2-8-4-5-10(14-11(8)9)15-7-12-6-13-15/h1-7,16H
InChI Key:
ZZTLVNVOUPOJTM-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1nc(cc2)n1cncn1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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