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Home > Fluorides > 1349718-17-7
1349718-17-7 | 4-(Oxetan-3-yloxy)-3-trifluoromethylbenzonitrile
CAS No: 1349718-17-7 Catalog No: AG01F9I5 MDL No:
Product Description
Catalog Number:
AG01F9I5
Chemical Name:
4-(Oxetan-3-yloxy)-3-trifluoromethylbenzonitrile
CAS Number:
1349718-17-7
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
IUPAC Name:
4-(oxetan-3-yloxy)-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C11H8F3NO2/c12-11(13,14)9-3-7(4-15)1-2-10(9)17-8-5-16-6-8/h1-3,8H,5-6H2
InChI Key:
NKCFCOGVYRPJJU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)OC1COC1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.185g/mol
Monoisotopic Mass:
243.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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