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2112-17-6 | Benzonitrile, 2,6-dichloro-4-nitro-
CAS No: 2112-17-6 Catalog No: AG002L7Y MDL No:
Product Description
Catalog Number:
AG002L7Y
Chemical Name:
Benzonitrile, 2,6-dichloro-4-nitro-
CAS Number:
2112-17-6
Molecular Formula:
C7H2Cl2N2O2
Molecular Weight:
217.0090
IUPAC Name:
2,6-dichloro-4-nitrobenzonitrile
InChI:
InChI=1S/C7H2Cl2N2O2/c8-6-1-4(11(12)13)2-7(9)5(6)3-10/h1-2H
InChI Key:
MADGWOCVYGHPIY-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.005g/mol
Monoisotopic Mass:
215.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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