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120153-77-7 | 2-Propen-1-one, 3-(2-chloro-7-methyl-3-quinolinyl)-1-phenyl-
CAS No: 120153-77-7 Catalog No: AG000QE5 MDL No:
Product Description
Catalog Number:
AG000QE5
Chemical Name:
2-Propen-1-one, 3-(2-chloro-7-methyl-3-quinolinyl)-1-phenyl-
CAS Number:
120153-77-7
Molecular Formula:
C19H14ClNO
Molecular Weight:
307.7736
IUPAC Name:
3-(2-chloro-7-methylquinolin-3-yl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C19H14ClNO/c1-13-7-8-15-12-16(19(20)21-17(15)11-13)9-10-18(22)14-5-3-2-4-6-14/h2-12H,1H3
InChI Key:
YYRXIGHIQWGQPD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(c(c2)C=CC(=O)c1ccccc1)Cl
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.777g/mol
Monoisotopic Mass:
307.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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