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1190862-68-0 | 3-Pyridinecarboxylic acid, 5,6-dibromo-, ethyl ester
CAS No: 1190862-68-0 Catalog No: AG000I55 MDL No:MFCD14698212
Product Description
Catalog Number:
AG000I55
Chemical Name:
3-Pyridinecarboxylic acid, 5,6-dibromo-, ethyl ester
CAS Number:
1190862-68-0
Molecular Formula:
C8H7Br2NO2
Molecular Weight:
308.9547
MDL Number:
MFCD14698212
IUPAC Name:
ethyl 5,6-dibromopyridine-3-carboxylate
InChI:
InChI=1S/C8H7Br2NO2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3
InChI Key:
JBZFHUQLVRJVMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(c(c1)Br)Br
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.882g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.957g/mol
Monoisotopic Mass:
306.884g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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