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Home > Bromides > 1242260-12-3
1242260-12-3 | 3-Quinolinecarboxylic acid, 4-bromo-, ethyl ester
CAS No: 1242260-12-3 Catalog No: AG000LPS MDL No:MFCD16987479
Product Description
Catalog Number:
AG000LPS
Chemical Name:
3-Quinolinecarboxylic acid, 4-bromo-, ethyl ester
CAS Number:
1242260-12-3
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD16987479
IUPAC Name:
ethyl 4-bromoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3
InChI Key:
OBEYLZVYBCUODM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Br)cccc2
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:
3.1
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