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Home > Fluorides > 723294-72-2
723294-72-2 | 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester
CAS No: 723294-72-2 Catalog No: AG01EX3K MDL No:MFCD04116463
Product Description
Catalog Number:
AG01EX3K
Chemical Name:
3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester
CAS Number:
723294-72-2
Molecular Formula:
C11H9F5O3
Molecular Weight:
284.1794
MDL Number:
MFCD04116463
IUPAC Name:
methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoate
InChI:
InChI=1S/C11H9F5O3/c1-19-8(17)9(18,7-5-3-2-4-6-7)10(12,13)11(14,15)16/h2-6,18H,1H3
InChI Key:
IBCLXHLLXUILND-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(F)(F)F)(F)F)(c1ccccc1)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.182g/mol
Monoisotopic Mass:
284.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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