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27697-45-6 | Benzonitrile, 2-chloro-3,5-dinitro-
CAS No: 27697-45-6 Catalog No: AG002UHP MDL No:
Product Description
Catalog Number:
AG002UHP
Chemical Name:
Benzonitrile, 2-chloro-3,5-dinitro-
CAS Number:
27697-45-6
Molecular Formula:
C7H2ClN3O4
Molecular Weight:
227.5615
IUPAC Name:
2-chloro-3,5-dinitrobenzonitrile
InChI:
InChI=1S/C7H2ClN3O4/c8-7-4(3-9)1-5(10(12)13)2-6(7)11(14)15/h1-2H
InChI Key:
GXBZQHWSOAJTLZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.973g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.56g/mol
Monoisotopic Mass:
226.973g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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