Home Halogens 4-(2-bromoacetyl)-2-fluorobenzonitrile

4-(2-bromoacetyl)-2-fluorobenzonitrile

CAS No.:
366790-50-3
Catalog Number:
AG00C6YS
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
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Product Description
Catalog Number:
AG00C6YS
Chemical Name:
4-(2-bromoacetyl)-2-fluorobenzonitrile
CAS Number:
366790-50-3
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
MDL Number:
MFCD11847574
IUPAC Name:
4-(2-bromoacetyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C9H5BrFNO/c10-4-9(13)6-1-2-7(5-12)8(11)3-6/h1-3H,4H2
InChI Key:
NTNWXIJWVFBDOF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)F)C#N
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.954g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.047g/mol
Monoisotopic Mass:
240.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties