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Home > Fluorides > 889938-96-9
889938-96-9 | 5-Isoxazolemethanol, a-methyl-3-[4-(trifluoromethyl)phenyl]-
CAS No: 889938-96-9 Catalog No: AG00451M MDL No:
Product Description
Catalog Number:
AG00451M
Chemical Name:
5-Isoxazolemethanol, a-methyl-3-[4-(trifluoromethyl)phenyl]-
CAS Number:
889938-96-9
Molecular Formula:
C12H10F3NO2
Molecular Weight:
257.2085
IUPAC Name:
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanol
InChI:
InChI=1S/C12H10F3NO2/c1-7(17)11-6-10(16-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3
InChI Key:
AQORUKNDPRTBDD-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1)c1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.212g/mol
Monoisotopic Mass:
257.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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