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164409-34-1 | Phenol, 4-(1,2,2-trifluoroethenyl)-, 1-acetate
CAS No: 164409-34-1 Catalog No: AG001UVJ MDL No:
Product Description
Catalog Number:
AG001UVJ
Chemical Name:
Phenol, 4-(1,2,2-trifluoroethenyl)-, 1-acetate
CAS Number:
164409-34-1
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
IUPAC Name:
acetic acid;4-(1,2,2-trifluoroethenyl)phenol
InChI:
InChI=1S/C8H5F3O.C2H4O2/c9-7(8(10)11)5-1-3-6(12)4-2-5;1-2(3)4/h1-4,12H;1H3,(H,3,4)
InChI Key:
RGSPCOLXFHWLHK-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=C(F)F)F
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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