200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 440659-12-1
440659-12-1 | 2-(2,2,2-trifluoroethyl)phenol
CAS No: 440659-12-1 Catalog No: AG01EVYR MDL No:
Product Description
Catalog Number:
AG01EVYR
Chemical Name:
2-(2,2,2-trifluoroethyl)phenol
CAS Number:
440659-12-1
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
IUPAC Name:
2-(2,2,2-trifluoroethyl)phenol
InChI:
InChI=1S/C8H7F3O/c9-8(10,11)5-6-3-1-2-4-7(6)12/h1-4,12H,5H2
InChI Key:
USRHJLBPRGSTRN-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CC(F)(F)F
Properties
Complexity:
144
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
© 2019 Angene International Limited. All rights Reserved.