Home Other Building Blocks 1-(2,4,6-trifluorophenyl)ethan-1-ol

1-(2,4,6-trifluorophenyl)ethan-1-ol

CAS No.:
1250113-83-7
Catalog Number:
AG01A1LL
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
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Product Description
Catalog Number:
AG01A1LL
Chemical Name:
1-(2,4,6-trifluorophenyl)ethan-1-ol
CAS Number:
1250113-83-7
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
MDL Number:
MFCD12787167
IUPAC Name:
1-(2,4,6-trifluorophenyl)ethanol
InChI:
InChI=1S/C8H7F3O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4,12H,1H3
InChI Key:
DMGIAUMXLVQIHA-UHFFFAOYSA-N
SMILES:
CC(c1c(F)cc(cc1F)F)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.138g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties