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524932-89-6 | 2-(1,3-benzodioxol-5-yl)quinoline-4-carbohydrazide
CAS No: 524932-89-6 Catalog No: AG00JBWJ MDL No:MFCD02244464
Product Description
Catalog Number:
AG00JBWJ
Chemical Name:
2-(1,3-benzodioxol-5-yl)quinoline-4-carbohydrazide
CAS Number:
524932-89-6
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
MDL Number:
MFCD02244464
IUPAC Name:
2-(1,3-benzodioxol-5-yl)quinoline-4-carbohydrazide
InChI:
InChI=1S/C17H13N3O3/c18-20-17(21)12-8-14(19-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)23-9-22-15/h1-8H,9,18H2,(H,20,21)
InChI Key:
FZJOXZSVDMHGIP-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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