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113656-42-1 | Quinoline, 2-methoxy-6-(4-pyrimidinyl)-
CAS No: 113656-42-1 Catalog No: AG000985 MDL No:
Product Description
Catalog Number:
AG000985
Chemical Name:
Quinoline, 2-methoxy-6-(4-pyrimidinyl)-
CAS Number:
113656-42-1
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
2-methoxy-6-pyrimidin-4-ylquinoline
InChI:
InChI=1S/C14H11N3O/c1-18-14-5-3-11-8-10(2-4-13(11)17-14)12-6-7-15-9-16-12/h2-9H,1H3
InChI Key:
IWCDOKQSPLUGHR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)ccc(c2)c1ccncn1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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