Home Other Building Blocks 2,5-DIMETHYLTEREPHTHALONITRILE

2,5-DIMETHYLTEREPHTHALONITRILE

CAS No.:
39095-25-5
Catalog Number:
AG00CA1S
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
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Product Description
Catalog Number:
AG00CA1S
Chemical Name:
2,5-DIMETHYLTEREPHTHALONITRILE
CAS Number:
39095-25-5
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD00191411
IUPAC Name:
2,5-dimethylbenzene-1,4-dicarbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3
InChI Key:
ZSJIRGBDYMYVDO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(cc1C)C#N
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties