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101772-02-5 | Quinoline, 2-(2H-tetrazol-5-yl)-
CAS No: 101772-02-5 Catalog No: AG0005GU MDL No:
Product Description
Catalog Number:
AG0005GU
Chemical Name:
Quinoline, 2-(2H-tetrazol-5-yl)-
CAS Number:
101772-02-5
Molecular Formula:
C10H7N5
Molecular Weight:
197.1961
IUPAC Name:
2-(2H-tetrazol-5-yl)quinoline
InChI:
InChI=1S/C10H7N5/c1-2-4-8-7(3-1)5-6-9(11-8)10-12-14-15-13-10/h1-6H,(H,12,13,14,15)
InChI Key:
JTVTWLHBQOLJGZ-UHFFFAOYSA-N
SMILES:
n1[nH]nc(n1)c1ccc2c(n1)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.201g/mol
Monoisotopic Mass:
197.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Rearrangement of 2-quinolyl- and 1-isoquinolylcarbenes to naphthylnitrenes. | The Journal of organic chemistry 20040319 |
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