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Home > Fluorides > 1365273-04-6
1365273-04-6 | Benzoic acid, 3-fluoro-5-(3-fluoro-2-pyridinyl)-, methyl ester
CAS No: 1365273-04-6 Catalog No: AG00121G MDL No:MFCD21609726
Product Description
Catalog Number:
AG00121G
Chemical Name:
Benzoic acid, 3-fluoro-5-(3-fluoro-2-pyridinyl)-, methyl ester
CAS Number:
1365273-04-6
Molecular Formula:
C13H9F2NO2
Molecular Weight:
249.2129
MDL Number:
MFCD21609726
IUPAC Name:
methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
InChI:
InChI=1S/C13H9F2NO2/c1-18-13(17)9-5-8(6-10(14)7-9)12-11(15)3-2-4-16-12/h2-7H,1H3
InChI Key:
KLKCIBLYZCJPLZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1)c1ncccc1F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.217g/mol
Monoisotopic Mass:
249.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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