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1000007-15-7 | 3-Quinolinecarboxylic acid, 2,4-dibromo-, ethyl ester
CAS No: 1000007-15-7 Catalog No: AG000083 MDL No:
Product Description
Catalog Number:
AG000083
Chemical Name:
3-Quinolinecarboxylic acid, 2,4-dibromo-, ethyl ester
CAS Number:
1000007-15-7
Molecular Formula:
C12H9Br2NO2
Molecular Weight:
359.0134
IUPAC Name:
ethyl 2,4-dibromoquinoline-3-carboxylate
InChI:
InChI=1S/C12H9Br2NO2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3
InChI Key:
YXCXRKVHOWNTFX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)nc2c(c1Br)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.898g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.017g/mol
Monoisotopic Mass:
356.9g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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