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Home > Fluorides > 597532-36-0
597532-36-0 | Ethyl 6-(trifluoromethyl);nicotinate
CAS No: 597532-36-0 Catalog No: AG003QD0 MDL No:MFCD04972865
Product Description
Catalog Number:
AG003QD0
Chemical Name:
Ethyl 6-(trifluoromethyl);nicotinate
CAS Number:
597532-36-0
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD04972865
IUPAC Name:
ethyl 6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3
InChI Key:
NRFRJTLIEGYCOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)C(F)(F)F
EC Number:
611-874-3
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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