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Home > Fluorides > 1192019-10-5
1192019-10-5 | Benzoxazole, 2-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)-
CAS No: 1192019-10-5 Catalog No: AG000ID4 MDL No:
Product Description
Catalog Number:
AG000ID4
Chemical Name:
Benzoxazole, 2-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)-
CAS Number:
1192019-10-5
Molecular Formula:
C14H9F3N2O
Molecular Weight:
278.2293
IUPAC Name:
2-(3-methylpyridin-4-yl)-5-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C14H9F3N2O/c1-8-7-18-5-4-10(8)13-19-11-6-9(14(15,16)17)2-3-12(11)20-13/h2-7H,1H3
InChI Key:
UXZDJDCNPDQQKG-UHFFFAOYSA-N
SMILES:
Cc1cnccc1c1nc2c(o1)ccc(c2)C(F)(F)F
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.234g/mol
Monoisotopic Mass:
278.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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