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Home > Fluorides > 138769-40-1
138769-40-1 | Carbonic acid, phenylmethyl 2,2,2-trifluoroethyl ester
CAS No: 138769-40-1 Catalog No: AG0019J4 MDL No:
Product Description
Catalog Number:
AG0019J4
Chemical Name:
Carbonic acid, phenylmethyl 2,2,2-trifluoroethyl ester
CAS Number:
138769-40-1
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
IUPAC Name:
benzyl 2,2,2-trifluoroethyl carbonate
InChI:
InChI=1S/C10H9F3O3/c11-10(12,13)7-16-9(14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
YZJVXNDWVYMZAA-UHFFFAOYSA-N
SMILES:
O=C(OCC(F)(F)F)OCc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
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:
0
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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