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82967-40-6 | 5-Quinolinecarboxylic acid, 8-(bromomethyl)-, methyl ester
CAS No: 82967-40-6 Catalog No: AG005EH9 MDL No:MFCD28166542
Product Description
Catalog Number:
AG005EH9
Chemical Name:
5-Quinolinecarboxylic acid, 8-(bromomethyl)-, methyl ester
CAS Number:
82967-40-6
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD28166542
IUPAC Name:
methyl 8-(bromomethyl)quinoline-5-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-16-12(15)10-5-4-8(7-13)11-9(10)3-2-6-14-11/h2-6H,7H2,1H3
InChI Key:
VNXFJEWIZOSRFN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cccn2)CBr
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.121g/mol
Monoisotopic Mass:
278.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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