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89517-16-8 | 2-Butenoic acid, (3,7-dichloro-8-quinolinyl)methyl ester
CAS No: 89517-16-8 Catalog No: AG0040SI MDL No:
Product Description
Catalog Number:
AG0040SI
Chemical Name:
2-Butenoic acid, (3,7-dichloro-8-quinolinyl)methyl ester
CAS Number:
89517-16-8
Molecular Formula:
C14H11Cl2NO2
Molecular Weight:
296.1486
IUPAC Name:
(3,7-dichloroquinolin-8-yl)methyl but-2-enoate
InChI:
InChI=1S/C14H11Cl2NO2/c1-2-3-13(18)19-8-11-12(16)5-4-9-6-10(15)7-17-14(9)11/h2-7H,8H2,1H3
InChI Key:
GFUBEMUIXGRIKS-UHFFFAOYSA-N
SMILES:
CC=CC(=O)OCc1c(Cl)ccc2c1ncc(c2)Cl
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.147g/mol
Monoisotopic Mass:
295.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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