Home Halogens 3-(2-chloro-6-fluorophenyl)propanenitrile

3-(2-chloro-6-fluorophenyl)propanenitrile

CAS No.:
1057676-61-5
Catalog Number:
AG01BIEJ
Molecular Formula:
C9H7ClFN
Molecular Weight:
183.6100
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Product Description
Catalog Number:
AG01BIEJ
Chemical Name:
3-(2-chloro-6-fluorophenyl)propanenitrile
CAS Number:
1057676-61-5
Molecular Formula:
C9H7ClFN
Molecular Weight:
183.6100
MDL Number:
MFCD09744658
IUPAC Name:
3-(2-chloro-6-fluorophenyl)propanenitrile
InChI:
InChI=1S/C9H7ClFN/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5H,2-3H2
InChI Key:
RFRIAUVPCSRKFU-UHFFFAOYSA-N
SMILES:
N#CCCc1c(F)cccc1Cl
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.61g/mol
Monoisotopic Mass:
183.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties