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89517-18-0 | Benzoic acid, 2-chloro-, (3,7-dichloro-8-quinolinyl)methyl ester
CAS No: 89517-18-0 Catalog No: AG0040SH MDL No:
Product Description
Catalog Number:
AG0040SH
Chemical Name:
Benzoic acid, 2-chloro-, (3,7-dichloro-8-quinolinyl)methyl ester
CAS Number:
89517-18-0
Molecular Formula:
C17H10Cl3NO2
Molecular Weight:
366.6258
IUPAC Name:
(3,7-dichloroquinolin-8-yl)methyl 2-chlorobenzoate
InChI:
InChI=1S/C17H10Cl3NO2/c18-11-7-10-5-6-15(20)13(16(10)21-8-11)9-23-17(22)12-3-1-2-4-14(12)19/h1-8H,9H2
InChI Key:
SUXRRJIRZFCSHV-UHFFFAOYSA-N
SMILES:
Clc1cnc2c(c1)ccc(c2COC(=O)c1ccccc1Cl)Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.978g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.622g/mol
Monoisotopic Mass:
364.978g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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