Home Halogens 4-(chloromethyl)-3,5-difluorobenzonitrile

4-(chloromethyl)-3,5-difluorobenzonitrile

CAS No.:
1698717-20-2
Catalog Number:
AG01DQBW
Molecular Formula:
C8H4ClF2N
Molecular Weight:
187.5739
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Product Description
Catalog Number:
AG01DQBW
Chemical Name:
4-(chloromethyl)-3,5-difluorobenzonitrile
CAS Number:
1698717-20-2
Molecular Formula:
C8H4ClF2N
Molecular Weight:
187.5739
MDL Number:
MFCD21340281
IUPAC Name:
4-(chloromethyl)-3,5-difluorobenzonitrile
InChI:
InChI=1S/C8H4ClF2N/c9-3-6-7(10)1-5(4-12)2-8(6)11/h1-2H,3H2
InChI Key:
VQFOCDNQUGLDLU-UHFFFAOYSA-N
SMILES:
ClCc1c(F)cc(cc1F)C#N
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.574g/mol
Monoisotopic Mass:
187g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties