Home Halogens 2-(3-chloro-4-fluorophenoxy)acetonitrile

2-(3-chloro-4-fluorophenoxy)acetonitrile

CAS No.:
1341652-79-6
Catalog Number:
AG01AN3C
Molecular Formula:
C8H5ClFNO
Molecular Weight:
185.5828
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Product Description
Catalog Number:
AG01AN3C
Chemical Name:
2-(3-chloro-4-fluorophenoxy)acetonitrile
CAS Number:
1341652-79-6
Molecular Formula:
C8H5ClFNO
Molecular Weight:
185.5828
MDL Number:
MFCD18839853
IUPAC Name:
2-(3-chloro-4-fluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5ClFNO/c9-7-5-6(12-4-3-11)1-2-8(7)10/h1-2,5H,4H2
InChI Key:
DMXZGGPJOUQRAE-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c(c1)Cl)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.582g/mol
Monoisotopic Mass:
185.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties