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303151-45-3 | Acetic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-2,2-difluoro-
CAS No: 303151-45-3 Catalog No: AG002ZOE MDL No:
Product Description
Catalog Number:
AG002ZOE
Chemical Name:
Acetic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-2,2-difluoro-
CAS Number:
303151-45-3
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
IUPAC Name:
2-(4-tert-butylphenoxy)-2,2-difluoroacetic acid
InChI:
InChI=1S/C12H14F2O3/c1-11(2,3)8-4-6-9(7-5-8)17-12(13,14)10(15)16/h4-7H,1-3H3,(H,15,16)
InChI Key:
BTADNNUSLHCEJF-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1)C(C)(C)C)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.238g/mol
Monoisotopic Mass:
244.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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