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89588-83-0 | 2-Furancarboxylic acid, 5-bromo-, 7-bromo-5-chloro-8-quinolinyl ester
CAS No: 89588-83-0 Catalog No: AG003XK5 MDL No:
Product Description
Catalog Number:
AG003XK5
Chemical Name:
2-Furancarboxylic acid, 5-bromo-, 7-bromo-5-chloro-8-quinolinyl ester
CAS Number:
89588-83-0
Molecular Formula:
C14H6Br2ClNO3
Molecular Weight:
431.4633
IUPAC Name:
(7-bromo-5-chloroquinolin-8-yl) 5-bromofuran-2-carboxylate
InChI:
InChI=1S/C14H6Br2ClNO3/c15-8-6-9(17)7-2-1-5-18-12(7)13(8)21-14(19)10-3-4-11(16)20-10/h1-6H
InChI Key:
BRNSCXMSTBCHBU-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)C(=O)Oc1c(Br)cc(c2c1nccc2)Cl
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.838g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.464g/mol
Monoisotopic Mass:
428.84g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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