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Home > Bromides > 1214375-85-5
1214375-85-5 | 2-Pyridinecarboxylic acid, 3,6-dibromo-, ethyl ester
CAS No: 1214375-85-5 Catalog No: AG0014X0 MDL No:MFCD13195784
Product Description
Catalog Number:
AG0014X0
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dibromo-, ethyl ester
CAS Number:
1214375-85-5
Molecular Formula:
C8H7Br2NO2
Molecular Weight:
308.9547
MDL Number:
MFCD13195784
IUPAC Name:
ethyl 3,6-dibromopyridine-2-carboxylate
InChI:
InChI=1S/C8H7Br2NO2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3
InChI Key:
FIFJOCLGVVDZFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(Br)ccc1Br
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:
3.1
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