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155395-64-5 | Propanedinitrile, 2-[4-(trifluoromethyl)phenyl]-
CAS No: 155395-64-5 Catalog No: AG001NVV MDL No:
Product Description
Catalog Number:
AG001NVV
Chemical Name:
Propanedinitrile, 2-[4-(trifluoromethyl)phenyl]-
CAS Number:
155395-64-5
Molecular Formula:
C10H5F3N2
Molecular Weight:
210.1553
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]propanedinitrile
InChI:
InChI=1S/C10H5F3N2/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-4,8H
InChI Key:
JCRHSXFVPQBYJT-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)C(F)(F)F)C#N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.159g/mol
Monoisotopic Mass:
210.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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