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80830-10-0 | 1,2-Benzenediol, 4-(5,6-dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl) -
CAS No: 80830-10-0 Catalog No: AG00GBQZ MDL No:
Product Description
Catalog Number:
AG00GBQZ
Chemical Name:
1,2-Benzenediol, 4-(5,6-dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl) -
CAS Number:
80830-10-0
IUPAC Name:
4-(5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-2-yl)benzene-1,2-diol
InChI:
InChI=1S/C16H13N3O2/c20-13-6-5-11(9-14(13)21)15-17-16-12-4-2-1-3-10(12)7-8-19(16)18-15/h1-6,9,20-21H,7-8H2
InChI Key:
KLOKYKDAWPWAJG-UHFFFAOYSA-N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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