Home Other Building Blocks 2-Bromo-1-(3,4-difluorophenyl)ethan-1-one

2-Bromo-1-(3,4-difluorophenyl)ethan-1-one

CAS No.:
40706-98-7
Catalog Number:
AG00379G
Molecular Formula:
C8H5BrF2O
Molecular Weight:
235.0255
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Product Description
Catalog Number:
AG00379G
Chemical Name:
2-Bromo-1-(3,4-difluorophenyl)ethan-1-one
CAS Number:
40706-98-7
Molecular Formula:
C8H5BrF2O
Molecular Weight:
235.0255
MDL Number:
MFCD00085010
IUPAC Name:
2-bromo-1-(3,4-difluorophenyl)ethanone
InChI:
InChI=1S/C8H5BrF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChI Key:
BYIVWTZVICGYFS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.028g/mol
Monoisotopic Mass:
233.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties