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193825-28-4 | Tetrazolo[1,5-a]quinoline, 5-(phenoxymethyl)-
CAS No: 193825-28-4 Catalog No: AG0074VE MDL No:
Product Description
Catalog Number:
AG0074VE
Chemical Name:
Tetrazolo[1,5-a]quinoline, 5-(phenoxymethyl)-
CAS Number:
193825-28-4
Molecular Formula:
C16H12N4O
Molecular Weight:
276.2927
IUPAC Name:
5-(phenoxymethyl)tetrazolo[1,5-a]quinoline
InChI:
InChI=1S/C16H12N4O/c1-2-6-13(7-3-1)21-11-12-10-16-17-18-19-20(16)15-9-5-4-8-14(12)15/h1-10H,11H2
InChI Key:
XVPQXOOUIHCGMJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCc1cc2nnnn2c2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.299g/mol
Monoisotopic Mass:
276.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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