Home Nitriles 2,3-Difluoro-6-Methoxybenzonitrile

2,3-Difluoro-6-Methoxybenzonitrile

CAS No.:
221202-34-2
Catalog Number:
AG003B3X
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
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Product Description
Catalog Number:
AG003B3X
Chemical Name:
2,3-Difluoro-6-Methoxybenzonitrile
CAS Number:
221202-34-2
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD04116019
IUPAC Name:
2,3-difluoro-6-methoxybenzonitrile
InChI:
InChI=1S/C8H5F2NO/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-3H,1H3
InChI Key:
AOINHYTZCDVZGW-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)ccc(c1F)F
Properties
Complexity:
201  
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