Home Other Building Blocks 2,3,6-TRICHLOROPHENYLACETONITRILE

2,3,6-TRICHLOROPHENYLACETONITRILE

CAS No.:
3215-65-4
Catalog Number:
AG00BZ25
Molecular Formula:
C8H4Cl3N
Molecular Weight:
220.4831
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Product Description
Catalog Number:
AG00BZ25
Chemical Name:
2,3,6-TRICHLOROPHENYLACETONITRILE
CAS Number:
3215-65-4
Molecular Formula:
C8H4Cl3N
Molecular Weight:
220.4831
MDL Number:
MFCD00051457
IUPAC Name:
2-(2,3,6-trichlorophenyl)acetonitrile
InChI:
InChI=1S/C8H4Cl3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
InChI Key:
ZUZLGSONCFESPE-UHFFFAOYSA-N
SMILES:
N#CCc1c(Cl)ccc(c1Cl)Cl
EC Number:
221-731-3
NSC Number:
166425
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.941g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.477g/mol
Monoisotopic Mass:
218.941g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties