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116547-32-1 | Pentanenitrile, 2,2,4,5-tetrachloro-
CAS No: 116547-32-1 Catalog No: AG000CRO MDL No:
Product Description
Catalog Number:
AG000CRO
Chemical Name:
Pentanenitrile, 2,2,4,5-tetrachloro-
CAS Number:
116547-32-1
Molecular Formula:
C5H5Cl4N
Molecular Weight:
220.9119
IUPAC Name:
2,2,4,5-tetrachloropentanenitrile
InChI:
InChI=1S/C5H5Cl4N/c6-2-4(7)1-5(8,9)3-10/h4H,1-2H2
InChI Key:
UZFZYGKKVINYOR-UHFFFAOYSA-N
SMILES:
ClCC(CC(C#N)(Cl)Cl)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.915g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.902g/mol
Monoisotopic Mass:
218.918g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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