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57076-58-1 | 1-Methyl-4-(1,1,2,2,2-pentafluoroethoxy)benzene
CAS No: 57076-58-1 Catalog No: AG01EWHS MDL No:MFCD28396345
Product Description
Catalog Number:
AG01EWHS
Chemical Name:
1-Methyl-4-(1,1,2,2,2-pentafluoroethoxy)benzene
CAS Number:
57076-58-1
Molecular Formula:
C9H7F5O
Molecular Weight:
226.1433
MDL Number:
MFCD28396345
IUPAC Name:
1-methyl-4-(1,1,2,2,2-pentafluoroethoxy)benzene
InChI:
InChI=1S/C9H7F5O/c1-6-2-4-7(5-3-6)15-9(13,14)8(10,11)12/h2-5H,1H3
InChI Key:
WRPAREFSOUFJMM-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)(Oc1ccc(cc1)C)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.146g/mol
Monoisotopic Mass:
226.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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