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123177-22-0 | Quinoline, 2-(4,6-dimethyl-2-pyrimidinyl)-
CAS No: 123177-22-0 Catalog No: AG000K4T MDL No:
Product Description
Catalog Number:
AG000K4T
Chemical Name:
Quinoline, 2-(4,6-dimethyl-2-pyrimidinyl)-
CAS Number:
123177-22-0
Molecular Formula:
C15H13N3
Molecular Weight:
235.2838
IUPAC Name:
2-(4,6-dimethylpyrimidin-2-yl)quinoline
InChI:
InChI=1S/C15H13N3/c1-10-9-11(2)17-15(16-10)14-8-7-12-5-3-4-6-13(12)18-14/h3-9H,1-2H3
InChI Key:
BVINZDLBYYMNMU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)c1ccc2c(n1)cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.29g/mol
Monoisotopic Mass:
235.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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