Home Other Building Blocks tert-butyl 4,4-difluorobut-2-enoate

tert-butyl 4,4-difluorobut-2-enoate

CAS No.:
1909358-86-6
Catalog Number:
AG01C2KD
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
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Product Description
Catalog Number:
AG01C2KD
Chemical Name:
tert-butyl 4,4-difluorobut-2-enoate
CAS Number:
1909358-86-6
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD29762726
IUPAC Name:
tert-butyl 4,4-difluorobut-2-enoate
InChI:
InChI=1S/C8H12F2O2/c1-8(2,3)12-7(11)5-4-6(9)10/h4-6H,1-3H3
InChI Key:
ZGLONWZKYVXQKI-UHFFFAOYSA-N
SMILES:
FC(C=CC(=O)OC(C)(C)C)F
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.081g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.179g/mol
Monoisotopic Mass:
178.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  
Properties