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88553-90-6 | Phenol, 4-(2-bromo-1,1,2-trifluoroethoxy)-2-chloro-
CAS No: 88553-90-6 Catalog No: AG004D6K MDL No:
Product Description
Catalog Number:
AG004D6K
Chemical Name:
Phenol, 4-(2-bromo-1,1,2-trifluoroethoxy)-2-chloro-
CAS Number:
88553-90-6
Molecular Formula:
C8H5BrClF3O2
Molecular Weight:
305.4763
IUPAC Name:
4-(2-bromo-1,1,2-trifluoroethoxy)-2-chlorophenol
InChI:
InChI=1S/C8H5BrClF3O2/c9-7(11)8(12,13)15-4-1-2-6(14)5(10)3-4/h1-3,7,14H
InChI Key:
TYXSFRCWNNFGTN-UHFFFAOYSA-N
SMILES:
FC(C(Oc1ccc(c(c1)Cl)O)(F)F)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.911g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.475g/mol
Monoisotopic Mass:
303.911g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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