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957948-74-2 | 4-(1-methyl-1H-pyrazol-4-yl)quinoline
CAS No: 957948-74-2 Catalog No: AG01AIG1 MDL No:MFCD03646954
Product Description
Catalog Number:
AG01AIG1
Chemical Name:
4-(1-methyl-1H-pyrazol-4-yl)quinoline
CAS Number:
957948-74-2
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
MDL Number:
MFCD03646954
IUPAC Name:
4-(1-methylpyrazol-4-yl)quinoline
InChI:
InChI=1S/C13H11N3/c1-16-9-10(8-15-16)11-6-7-14-13-5-3-2-4-12(11)13/h2-9H,1H3
InChI Key:
XEWVETHGIYLHIA-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccnc2c1cccc2
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:
2.1
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