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Home > Fluorides > 1192019-91-2
1192019-91-2 | Benzoxazole, 5-(1,1-dimethylethyl)-2-(3-fluoro-4-pyridinyl)-
CAS No: 1192019-91-2 Catalog No: AG000ID2 MDL No:
Product Description
Catalog Number:
AG000ID2
Chemical Name:
Benzoxazole, 5-(1,1-dimethylethyl)-2-(3-fluoro-4-pyridinyl)-
CAS Number:
1192019-91-2
Molecular Formula:
C16H15FN2O
Molecular Weight:
270.3015
IUPAC Name:
5-tert-butyl-2-(3-fluoropyridin-4-yl)-1,3-benzoxazole
InChI:
InChI=1S/C16H15FN2O/c1-16(2,3)10-4-5-14-13(8-10)19-15(20-14)11-6-7-18-9-12(11)17/h4-9H,1-3H3
InChI Key:
XKKKTGIEABDEDK-UHFFFAOYSA-N
SMILES:
Fc1cnccc1c1nc2c(o1)ccc(c2)C(C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.117g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.307g/mol
Monoisotopic Mass:
270.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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