Home Halogens Benzeneacetonitrile,5-chloro-2-nitro-

Benzeneacetonitrile,5-chloro-2-nitro-

CAS No.:
72301-65-6
Catalog Number:
AG005IDT
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
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Product Description
Catalog Number:
AG005IDT
Chemical Name:
Benzeneacetonitrile,5-chloro-2-nitro-
CAS Number:
72301-65-6
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD00114693
IUPAC Name:
2-(5-chloro-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5ClN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2
InChI Key:
RSTBSJBPGRATIV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1CC#N)Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties