Home Halogens 3-bromo-2-fluoro-5-methylbenzonitrile

3-bromo-2-fluoro-5-methylbenzonitrile

CAS No.:
1260741-40-9
Catalog Number:
AG01BVAG
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BVAG
Chemical Name:
3-bromo-2-fluoro-5-methylbenzonitrile
CAS Number:
1260741-40-9
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD12756720
IUPAC Name:
3-bromo-2-fluoro-5-methylbenzonitrile
InChI:
InChI=1S/C8H5BrFN/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3
InChI Key:
KPGJEXZQSFSJNZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1F)Br
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.037g/mol
Monoisotopic Mass:
212.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties