200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 172333-87-8
172333-87-8 | 3-Fluoro-5-(trifluoromethyl)phenol
CAS No: 172333-87-8 Catalog No: AG003JGO MDL No:MFCD00061288
Product Description
Catalog Number:
AG003JGO
Chemical Name:
3-Fluoro-5-(trifluoromethyl)phenol
CAS Number:
172333-87-8
Molecular Formula:
C7H4F4O
Molecular Weight:
180.0997
MDL Number:
MFCD00061288
IUPAC Name:
3-fluoro-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
InChI Key:
VNTKPYNBATZMSV-UHFFFAOYSA-N
SMILES:
Oc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.102g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole. | PLoS biology 20060401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.