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Home > Bromides > 1214335-25-7
1214335-25-7 | 4-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, ethyl ester
CAS No: 1214335-25-7 Catalog No: AG0014U2 MDL No:MFCD14698327
Product Description
Catalog Number:
AG0014U2
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, ethyl ester
CAS Number:
1214335-25-7
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
MDL Number:
MFCD14698327
IUPAC Name:
ethyl 3-bromo-5-fluoropyridine-4-carboxylate
InChI:
InChI=1S/C8H7BrFNO2/c1-2-13-8(12)7-5(9)3-11-4-6(7)10/h3-4H,2H2,1H3
InChI Key:
KDHLLUHMPGJYDM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)cncc1Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.051g/mol
Monoisotopic Mass:
246.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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