Home Other Building Blocks 4-BROMO-3,3-DIFLUOROBUTAN-2-ONE

4-BROMO-3,3-DIFLUOROBUTAN-2-ONE

CAS No.:
1379267-74-9
Catalog Number:
AG01DYPU
Molecular Formula:
C4H5BrF2O
Molecular Weight:
186.9827
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Product Description
Catalog Number:
AG01DYPU
Chemical Name:
4-BROMO-3,3-DIFLUOROBUTAN-2-ONE
CAS Number:
1379267-74-9
Molecular Formula:
C4H5BrF2O
Molecular Weight:
186.9827
MDL Number:
MFCD20636912
IUPAC Name:
4-bromo-3,3-difluorobutan-2-one
InChI:
InChI=1S/C4H5BrF2O/c1-3(8)4(6,7)2-5/h2H2,1H3
InChI Key:
WNHLNMKESGPKNJ-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)C)(F)F
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.949g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.984g/mol
Monoisotopic Mass:
185.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties