Home Nitriles 1,4-Benzenedicarbonitrile,2-fluoro-5-methyl-(9CI)

1,4-Benzenedicarbonitrile,2-fluoro-5-methyl-(9CI)

CAS No.:
368426-67-9
Catalog Number:
AG00COVL
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
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Product Description
Catalog Number:
AG00COVL
Chemical Name:
1,4-Benzenedicarbonitrile,2-fluoro-5-methyl-(9CI)
CAS Number:
368426-67-9
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
MDL Number:
MFCD18806061
IUPAC Name:
2-fluoro-5-methylbenzene-1,4-dicarbonitrile
InChI:
InChI=1S/C9H5FN2/c1-6-2-8(5-12)9(10)3-7(6)4-11/h2-3H,1H3
InChI Key:
COXAZHVNVNZQNC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1C)C#N
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.151g/mol
Monoisotopic Mass:
160.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties