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Home > Fluorides > 1192018-99-7
1192018-99-7 | Benzoxazole, 2-(4-pyridinyl)-5-(trifluoromethyl)-
CAS No: 1192018-99-7 Catalog No: AG000ID8 MDL No:
Product Description
Catalog Number:
AG000ID8
Chemical Name:
Benzoxazole, 2-(4-pyridinyl)-5-(trifluoromethyl)-
CAS Number:
1192018-99-7
Molecular Formula:
C13H7F3N2O
Molecular Weight:
264.2027
IUPAC Name:
2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H7F3N2O/c14-13(15,16)9-1-2-11-10(7-9)18-12(19-11)8-3-5-17-6-4-8/h1-7H
InChI Key:
MWFIVXNKEKKIHQ-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)nc(o2)c1ccncc1)(F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.207g/mol
Monoisotopic Mass:
264.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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