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1306607-17-9 | 2-(1-methyl-1H-pyrazol-4-yl)quinoline
CAS No: 1306607-17-9 Catalog No: AG01AIFY MDL No:MFCD18839062
Product Description
Catalog Number:
AG01AIFY
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)quinoline
CAS Number:
1306607-17-9
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
MDL Number:
MFCD18839062
IUPAC Name:
2-(1-methylpyrazol-4-yl)quinoline
InChI:
InChI=1S/C13H11N3/c1-16-9-11(8-14-16)13-7-6-10-4-2-3-5-12(10)15-13/h2-9H,1H3
InChI Key:
CTFVFZJRACMKKK-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccc2c(n1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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