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88362-80-5 | Oxazolo[4,5-h]quinoline, 5-chloro-2-(1H-tetrazol-5-yl)-
CAS No: 88362-80-5 Catalog No: AG004J46 MDL No:
Product Description
Catalog Number:
AG004J46
Chemical Name:
Oxazolo[4,5-h]quinoline, 5-chloro-2-(1H-tetrazol-5-yl)-
CAS Number:
88362-80-5
Molecular Formula:
C11H5ClN6O
Molecular Weight:
272.6500
IUPAC Name:
5-chloro-2-(2H-tetrazol-5-yl)-[1,3]oxazolo[4,5-h]quinoline
InChI:
InChI=1S/C11H5ClN6O/c12-6-4-7-9(8-5(6)2-1-3-13-8)19-11(14-7)10-15-17-18-16-10/h1-4H,(H,15,16,17,18)
InChI Key:
VQOZBKAQULYHPE-UHFFFAOYSA-N
SMILES:
Clc1cc2nc(oc2c2c1cccn2)c1nnn[nH]1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.652g/mol
Monoisotopic Mass:
272.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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