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89517-19-1 | Benzoic acid, 4-methoxy-, (3,7-dichloro-8-quinolinyl)methyl ester
CAS No: 89517-19-1 Catalog No: AG0040VT MDL No:
Product Description
Catalog Number:
AG0040VT
Chemical Name:
Benzoic acid, 4-methoxy-, (3,7-dichloro-8-quinolinyl)methyl ester
CAS Number:
89517-19-1
Molecular Formula:
C18H13Cl2NO3
Molecular Weight:
362.2067
IUPAC Name:
(3,7-dichloroquinolin-8-yl)methyl 4-methoxybenzoate
InChI:
InChI=1S/C18H13Cl2NO3/c1-23-14-5-2-11(3-6-14)18(22)24-10-15-16(20)7-4-12-8-13(19)9-21-17(12)15/h2-9H,10H2,1H3
InChI Key:
NBDRCQBEDBVFPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)OCc1c(Cl)ccc2c1ncc(c2)Cl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.027g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.206g/mol
Monoisotopic Mass:
361.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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