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56456-48-5 | (3-Chloro-4-(trifluoromethoxy);phenyl);methanol
CAS No: 56456-48-5 Catalog No: AG003AXY MDL No:MFCD01631559
Product Description
Catalog Number:
AG003AXY
Chemical Name:
(3-Chloro-4-(trifluoromethoxy);phenyl);methanol
CAS Number:
56456-48-5
Molecular Formula:
C8H6ClF3O2
Molecular Weight:
226.5802
MDL Number:
MFCD01631559
IUPAC Name:
[3-chloro-4-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H6ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
InChI Key:
KPYSDIQXFHKDPU-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Cl)OC(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.579g/mol
Monoisotopic Mass:
226.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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