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Home > Bromides > 1214385-66-6
1214385-66-6 | 4-Pyridinecarboxylic acid, 2-bromo-3-fluoro-, methyl ester
CAS No: 1214385-66-6 Catalog No: AG0014ZJ MDL No:MFCD14698109
Product Description
Catalog Number:
AG0014ZJ
Chemical Name:
4-Pyridinecarboxylic acid, 2-bromo-3-fluoro-, methyl ester
CAS Number:
1214385-66-6
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD14698109
IUPAC Name:
methyl 2-bromo-3-fluoropyridine-4-carboxylate
InChI:
InChI=1S/C7H5BrFNO2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,1H3
InChI Key:
YEXYVWRWNOFYPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1F)Br
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:
1.8
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