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Home > Bromides > 1214375-74-2
1214375-74-2 | 3-Pyridinecarboxylic acid, 2,5-dibromo-, ethyl ester
CAS No: 1214375-74-2 Catalog No: AG0014X2 MDL No:MFCD12032194
Product Description
Catalog Number:
AG0014X2
Chemical Name:
3-Pyridinecarboxylic acid, 2,5-dibromo-, ethyl ester
CAS Number:
1214375-74-2
Molecular Formula:
C8H7Br2NO2
Molecular Weight:
308.9547
MDL Number:
MFCD12032194
IUPAC Name:
ethyl 2,5-dibromopyridine-3-carboxylate
InChI:
InChI=1S/C8H7Br2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3
InChI Key:
NMPIHOQTXGSWRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cnc1Br
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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