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Home > Bromides > 1383551-36-7
1383551-36-7 | 3-Quinolinecarboxylic acid, 5-bromo-, ethyl ester
CAS No: 1383551-36-7 Catalog No: AG0018MB MDL No:MFCD22690326
Product Description
Catalog Number:
AG0018MB
Chemical Name:
3-Quinolinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number:
1383551-36-7
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD22690326
IUPAC Name:
ethyl 5-bromoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)8-6-9-10(13)4-3-5-11(9)14-7-8/h3-7H,2H2,1H3
InChI Key:
IQYDMSOHOYEMJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)c(Br)ccc2
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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