Home Other Building Blocks 3-METHYL-2-(TRIFLUOROMETHYL)BENZYL ALCOHOL

3-METHYL-2-(TRIFLUOROMETHYL)BENZYL ALCOHOL

CAS No.:
1261852-83-8
Catalog Number:
AG01EMMG
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
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Product Description
Catalog Number:
AG01EMMG
Chemical Name:
3-METHYL-2-(TRIFLUOROMETHYL)BENZYL ALCOHOL
CAS Number:
1261852-83-8
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD18399876
IUPAC Name:
[3-methyl-2-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C9H9F3O/c1-6-3-2-4-7(5-13)8(6)9(10,11)12/h2-4,13H,5H2,1H3
InChI Key:
BSQKFSVKKSFBMC-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C(F)(F)F)C
Properties
Complexity:
167  
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:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties