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89508-59-8 | Quinoline, 3-(4,6-dichloro-2-pyrimidinyl)-
CAS No: 89508-59-8 Catalog No: AG00419E MDL No:
Product Description
Catalog Number:
AG00419E
Chemical Name:
Quinoline, 3-(4,6-dichloro-2-pyrimidinyl)-
CAS Number:
89508-59-8
Molecular Formula:
C13H7Cl2N3
Molecular Weight:
276.1208
IUPAC Name:
3-(4,6-dichloropyrimidin-2-yl)quinoline
InChI:
InChI=1S/C13H7Cl2N3/c14-11-6-12(15)18-13(17-11)9-5-8-3-1-2-4-10(8)16-7-9/h1-7H
InChI Key:
JDEZQSRARRWGQZ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1cnc2c(c1)cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.12g/mol
Monoisotopic Mass:
275.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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