Home Halogens 1-bromo-1,1-difluoro-3-phenylpropan-2-one

1-bromo-1,1-difluoro-3-phenylpropan-2-one

CAS No.:
1432681-83-8
Catalog Number:
AG01A477
Molecular Formula:
C9H7BrF2O
Molecular Weight:
249.0521
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Product Description
Catalog Number:
AG01A477
Chemical Name:
1-bromo-1,1-difluoro-3-phenylpropan-2-one
CAS Number:
1432681-83-8
Molecular Formula:
C9H7BrF2O
Molecular Weight:
249.0521
MDL Number:
MFCD23701802
IUPAC Name:
1-bromo-1,1-difluoro-3-phenylpropan-2-one
InChI:
InChI=1S/C9H7BrF2O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
NPXQURIDBHHQMW-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(F)F)Cc1ccccc1
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.965g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.055g/mol
Monoisotopic Mass:
247.965g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties