Home Nitriles 2,6-Difluoro-4-methoxybenzonitrile

2,6-Difluoro-4-methoxybenzonitrile

CAS No.:
123843-66-3
Catalog Number:
AG000L5S
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
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Product Description
Catalog Number:
AG000L5S
Chemical Name:
2,6-Difluoro-4-methoxybenzonitrile
CAS Number:
123843-66-3
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD03094498
IUPAC Name:
2,6-difluoro-4-methoxybenzonitrile
InChI:
InChI=1S/C8H5F2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3
InChI Key:
CMGFDVIQHBAJHT-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(c(c1)F)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:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties