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261763-06-8 | Benzenemethanol, 3-chloro-2-fluoro-6-(trifluoromethyl)-
CAS No: 261763-06-8 Catalog No: AG002S1O MDL No:
Product Description
Catalog Number:
AG002S1O
Chemical Name:
Benzenemethanol, 3-chloro-2-fluoro-6-(trifluoromethyl)-
CAS Number:
261763-06-8
Molecular Formula:
C8H5ClF4O
Molecular Weight:
228.5713
IUPAC Name:
[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H5ClF4O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2,14H,3H2
InChI Key:
VDEDOZYRVFBTPC-UHFFFAOYSA-N
SMILES:
OCc1c(F)c(Cl)ccc1C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.571g/mol
Monoisotopic Mass:
227.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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