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123724-12-9 | Quinoline, 2-[[3-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]-
CAS No: 123724-12-9 Catalog No: AG000L0H MDL No:
Product Description
Catalog Number:
AG000L0H
Chemical Name:
Quinoline, 2-[[3-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]-
CAS Number:
123724-12-9
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
2-[[3-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]quinoline
InChI:
InChI=1S/C18H15N5O/c1-2-7-17-14(5-1)8-9-15(19-17)12-24-16-6-3-4-13(10-16)11-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
InChI Key:
PQCFEOVZOWBTSB-UHFFFAOYSA-N
SMILES:
c1cc(OCc2ccc3c(n2)cccc3)cc(c1)Cc1n[nH]nn1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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