Home Other Building Blocks 3,3,3-trifluoro-2-phenylpropan-1-ol

3,3,3-trifluoro-2-phenylpropan-1-ol

CAS No.:
113242-93-6
Catalog Number:
AG01BUTM
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
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Product Description
Catalog Number:
AG01BUTM
Chemical Name:
3,3,3-trifluoro-2-phenylpropan-1-ol
CAS Number:
113242-93-6
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD16616911
IUPAC Name:
3,3,3-trifluoro-2-phenylpropan-1-ol
InChI:
InChI=1S/C9H9F3O/c10-9(11,12)8(6-13)7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChI Key:
PDMIASFCGOSLLC-UHFFFAOYSA-N
SMILES:
OCC(C(F)(F)F)c1ccccc1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.165g/mol
Monoisotopic Mass:
190.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties