Home Halogens Ethyl 4-bromo-4,4-difluoro-3-oxobutanoate, Ethyl 4-bromo-4,4-difluoro-3-oxobutyrate

Ethyl 4-bromo-4,4-difluoro-3-oxobutanoate, Ethyl 4-bromo-4,4-difluoro-3-oxobutyrate

CAS No.:
367922-07-4
Catalog Number:
AG00D5EL
Molecular Formula:
C6H7BrF2O3
Molecular Weight:
245.0188
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Product Description
Catalog Number:
AG00D5EL
Chemical Name:
Ethyl 4-bromo-4,4-difluoro-3-oxobutanoate, Ethyl 4-bromo-4,4-difluoro-3-oxobutyrate
CAS Number:
367922-07-4
Molecular Formula:
C6H7BrF2O3
Molecular Weight:
245.0188
MDL Number:
MFCD10700150
IUPAC Name:
ethyl 4-bromo-4,4-difluoro-3-oxobutanoate
InChI:
InChI=1S/C6H7BrF2O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChI Key:
DCOGKVHCIAKKQH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C(Br)(F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.955g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.02g/mol
Monoisotopic Mass:
243.955g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties