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272440-70-7 | Ethyl 2-(2,5-dimethylphenyl)-2,2-difluoroacetate
CAS No: 272440-70-7 Catalog No: AG01F9MW MDL No:MFCD16794457
Product Description
Catalog Number:
AG01F9MW
Chemical Name:
Ethyl 2-(2,5-dimethylphenyl)-2,2-difluoroacetate
CAS Number:
272440-70-7
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
MDL Number:
MFCD16794457
IUPAC Name:
ethyl 2-(2,5-dimethylphenyl)-2,2-difluoroacetate
InChI:
InChI=1S/C12H14F2O2/c1-4-16-11(15)12(13,14)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChI Key:
PKFAWWWWIJYIOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cc(C)ccc1C)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.239g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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