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116640-09-6 | Phenol, 2-chloro-6-fluoro-4-(trifluoromethyl)-
CAS No: 116640-09-6 Catalog No: AG000CWU MDL No:
Product Description
Catalog Number:
AG000CWU
Chemical Name:
Phenol, 2-chloro-6-fluoro-4-(trifluoromethyl)-
CAS Number:
116640-09-6
Molecular Formula:
C7H3ClF4O
Molecular Weight:
214.5447
IUPAC Name:
2-chloro-6-fluoro-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
InChI Key:
GMDXDJVADBEUBV-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1O)Cl)C(F)(F)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.544g/mol
Monoisotopic Mass:
213.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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