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Home > Fluorides > 1160994-72-8
1160994-72-8 | tert-Butyl[3-(5'-(trifluoromethyl)pyridin-2'-yl)-[1,2,4]methyl]-carbamate
CAS No: 1160994-72-8 Catalog No: AG01F4KS MDL No:
Product Description
Catalog Number:
AG01F4KS
Chemical Name:
tert-Butyl[3-(5'-(trifluoromethyl)pyridin-2'-yl)-[1,2,4]methyl]-carbamate
CAS Number:
1160994-72-8
Molecular Formula:
C14H15F3N4O3
Molecular Weight:
344.2891
IUPAC Name:
tert-butyl N-[[3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C14H15F3N4O3/c1-13(2,3)23-12(22)19-7-10-20-11(21-24-10)9-5-4-8(6-18-9)14(15,16)17/h4-6H,7H2,1-3H3,(H,19,22)
InChI Key:
LKPVAHGYJONAPC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1onc(n1)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.294g/mol
Monoisotopic Mass:
344.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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