Home Other Building Blocks 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethan-1-ol

1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethan-1-ol

CAS No.:
924713-08-6
Catalog Number:
AG01BG7V
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
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Product Description
Catalog Number:
AG01BG7V
Chemical Name:
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethan-1-ol
CAS Number:
924713-08-6
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD08264992
IUPAC Name:
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethanol
InChI:
InChI=1S/C9H6F3NO2/c10-9(11,12)7(14)8-13-5-3-1-2-4-6(5)15-8/h1-4,7,14H
InChI Key:
OHOLEPTWLPQYIS-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)c1nc2c(o1)cccc2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties