Benzonitrile, 3-chloro-4-nitro-


Chemical Name: Benzonitrile, 3-chloro-4-nitro-
CAS Number: 34662-29-8
Product Number: AG007D5F(AGN-PC-0035S5)
Synonyms:
MDL No:
Molecular Formula: C7H3ClN2O2
Molecular Weight: 182.5639

Identification/Properties


Computed Properties
Molecular Weight:
182.563g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
181.988g/mol
Monoisotopic Mass:
181.988g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
229
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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