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Home > Bromides > 1001756-23-5
1001756-23-5 | 3-Quinolinecarboxylic acid, 7-bromo-, methyl ester
CAS No: 1001756-23-5 Catalog No: AG000154 MDL No:MFCD09834664
Product Description
Catalog Number:
AG000154
Chemical Name:
3-Quinolinecarboxylic acid, 7-bromo-, methyl ester
CAS Number:
1001756-23-5
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD09834664
IUPAC Name:
methyl 7-bromoquinoline-3-carboxylate
InChI:
InChI=1S/C11H8BrNO2/c1-15-11(14)8-4-7-2-3-9(12)5-10(7)13-6-8/h2-6H,1H3
InChI Key:
GPLUSJRHUJLUHU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)ccc(c2)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:
2.9
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