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132664-48-3 | 8-Quinolinecarboxylic acid, 4-bromo-, methyl ester
CAS No: 132664-48-3 Catalog No: AG0010Z5 MDL No:
Product Description
Catalog Number:
AG0010Z5
Chemical Name:
8-Quinolinecarboxylic acid, 4-bromo-, methyl ester
CAS Number:
132664-48-3
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
IUPAC Name:
methyl 4-bromoquinoline-8-carboxylate
InChI:
InChI=1S/C11H8BrNO2/c1-15-11(14)8-4-2-3-7-9(12)5-6-13-10(7)8/h2-6H,1H3
InChI Key:
KVVKKGMJTKTDHD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nccc2Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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