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Home > Fluorides > 1416819-91-4
1416819-91-4 | Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)-
CAS No: 1416819-91-4 Catalog No: AG001GVK MDL No:MFCD23701103
Product Description
Catalog Number:
AG001GVK
Chemical Name:
Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)-
CAS Number:
1416819-91-4
Molecular Formula:
C13H15F3N2O
Molecular Weight:
272.2662
MDL Number:
MFCD23701103
IUPAC Name:
(4S)-4-tert-butyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H15F3N2O/c1-12(2,3)10-7-19-11(18-10)9-5-4-8(6-17-9)13(14,15)16/h4-6,10H,7H2,1-3H3/t10-/m1/s1
InChI Key:
AATATIAROAAKIN-SNVBAGLBSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccc(cn1)C(F)(F)F)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.271g/mol
Monoisotopic Mass:
272.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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