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107813-63-8 | Quinoline,2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-
CAS No: 107813-63-8 Catalog No: AG0084A1 MDL No:
Product Description
Catalog Number:
AG0084A1
Chemical Name:
Quinoline,2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-
CAS Number:
107813-63-8
Molecular Formula:
C20H19N5O2
Molecular Weight:
361.3972
IUPAC Name:
2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
InChI:
InChI=1S/C20H19N5O2/c1-2-8-19-15(5-1)10-11-16(21-19)14-27-18-7-3-6-17(13-18)26-12-4-9-20-22-24-25-23-20/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23,24,25)
InChI Key:
XDPLTERFGJAMRU-UHFFFAOYSA-N
SMILES:
C(Oc1cccc(c1)OCc1ccc2c(n1)cccc2)CCc1nnn[nH]1
UNII:
K4UOE2TWW7
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.154g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.405g/mol
Monoisotopic Mass:
361.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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