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Home > Fluorides > 129922-56-1
129922-56-1 | 2-Butynoic acid, 4,4-difluoro-, ethyl ester
CAS No: 129922-56-1 Catalog No: AG000TSF MDL No:
Product Description
Catalog Number:
AG000TSF
Chemical Name:
2-Butynoic acid, 4,4-difluoro-, ethyl ester
CAS Number:
129922-56-1
Molecular Formula:
C6H6F2O2
Molecular Weight:
148.1074
IUPAC Name:
ethyl 4,4-difluorobut-2-ynoate
InChI:
InChI=1S/C6H6F2O2/c1-2-10-6(9)4-3-5(7)8/h5H,2H2,1H3
InChI Key:
PMXSBDAVCWLEAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CC(F)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.109g/mol
Monoisotopic Mass:
148.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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