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Home > Bromides > 1214325-21-9
1214325-21-9 | 4-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, methyl ester
CAS No: 1214325-21-9 Catalog No: AG0014RY MDL No:MFCD14698118
Product Description
Catalog Number:
AG0014RY
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, methyl ester
CAS Number:
1214325-21-9
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD14698118
IUPAC Name:
methyl 3-bromo-5-fluoropyridine-4-carboxylate
InChI:
InChI=1S/C7H5BrFNO2/c1-12-7(11)6-4(8)2-10-3-5(6)9/h2-3H,1H3
InChI Key:
DMXHIWQLBFVMDH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cncc1Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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