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127852-27-1

127852-27-1 | Benzenemethanol, α-methyl-2-(trifluoromethyl)-, (αS)-

CAS No: 127852-27-1 Catalog No: AG000XGY MDL No:MFCD03093001

Product Description

Catalog Number:
AG000XGY
Chemical Name:
Benzenemethanol, α-methyl-2-(trifluoromethyl)-, (αS)-
CAS Number:
127852-27-1
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD03093001
IUPAC Name:
(1S)-1-[2-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3/t6-/m0/s1
InChI Key:
VGHBIJJTMFYTPY-LURJTMIESA-N
SMILES:
C[C@@H](c1ccccc1C(F)(F)F)O

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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