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Home > Fluorides > 723294-73-3
723294-73-3 | 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester
CAS No: 723294-73-3 Catalog No: AG01EX3L MDL No:MFCD04116464
Product Description
Catalog Number:
AG01EX3L
Chemical Name:
3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester
CAS Number:
723294-73-3
Molecular Formula:
C6H7F5O3
Molecular Weight:
222.1100
MDL Number:
MFCD04116464
IUPAC Name:
methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-methylbutanoate
InChI:
InChI=1S/C6H7F5O3/c1-4(13,3(12)14-2)5(7,8)6(9,10)11/h13H,1-2H3
InChI Key:
FVKRAAVMCALKMI-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(F)(F)F)(F)F)(O)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.111g/mol
Monoisotopic Mass:
222.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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