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129670-05-9

129670-05-9 | Phenol, 4-(2-chloro-1,1,2-trifluoroethoxy)-2-methyl-

CAS No: 129670-05-9 Catalog No: AG000TL4 MDL No:MFCD07777138

Product Description

Catalog Number:
AG000TL4
Chemical Name:
Phenol, 4-(2-chloro-1,1,2-trifluoroethoxy)-2-methyl-
CAS Number:
129670-05-9
Molecular Formula:
C9H8ClF3O2
Molecular Weight:
240.6068
MDL Number:
MFCD07777138
IUPAC Name:
4-(2-chloro-1,1,2-trifluoroethoxy)-2-methylphenol
InChI:
InChI=1S/C9H8ClF3O2/c1-5-4-6(2-3-7(5)14)15-9(12,13)8(10)11/h2-4,8,14H,1H3
InChI Key:
WBUZWDWYEGWODV-UHFFFAOYSA-N
SMILES:
FC(C(Oc1ccc(c(c1)C)O)(F)F)Cl

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.606g/mol
Monoisotopic Mass:
240.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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