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87964-31-6 | Methyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate
CAS No: 87964-31-6 Catalog No: AG01F9DW MDL No:MFCD28396365
Product Description
Catalog Number:
AG01F9DW
Chemical Name:
Methyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate
CAS Number:
87964-31-6
Molecular Formula:
C11H8F6O3
Molecular Weight:
302.1698
MDL Number:
MFCD28396365
IUPAC Name:
methyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate
InChI:
InChI=1S/C11H8F6O3/c1-19-9(18)5-20-8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-4H,5H2,1H3
InChI Key:
AMLQVJSODCJJPX-UHFFFAOYSA-N
SMILES:
COC(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.172g/mol
Monoisotopic Mass:
302.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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