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205114-17-6 | 6-Quinolinecarboxylic acid, 3-bromo-, methyl ester
CAS No: 205114-17-6 Catalog No: AG0029VE MDL No:MFCD19704209
Product Description
Catalog Number:
AG0029VE
Chemical Name:
6-Quinolinecarboxylic acid, 3-bromo-, methyl ester
CAS Number:
205114-17-6
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD19704209
IUPAC Name:
methyl 3-bromoquinoline-6-carboxylate
InChI:
InChI=1S/C11H8BrNO2/c1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10/h2-6H,1H3
InChI Key:
IQKJYNVCQVDCOU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cc(cn2)Br
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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