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821770-49-4 | Quinoline, 6-chloro-2-ethyl-3-methyl-4-phenyl-
CAS No: 821770-49-4 Catalog No: AG0058A5 MDL No:
Product Description
Catalog Number:
AG0058A5
Chemical Name:
Quinoline, 6-chloro-2-ethyl-3-methyl-4-phenyl-
CAS Number:
821770-49-4
Molecular Formula:
C18H16ClN
Molecular Weight:
281.7793
IUPAC Name:
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
InChI:
InChI=1S/C18H16ClN/c1-3-16-12(2)18(13-7-5-4-6-8-13)15-11-14(19)9-10-17(15)20-16/h4-11H,3H2,1-2H3
InChI Key:
PSTUCEGOSPIXRN-UHFFFAOYSA-N
SMILES:
CCc1nc2ccc(cc2c(c1C)c1ccccc1)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.783g/mol
Monoisotopic Mass:
281.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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