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159275-52-2 | Phthalazine, 1,4-dichloro-6-nitro-
CAS No: 159275-52-2 Catalog No: AG001QLD MDL No:
Product Description
Catalog Number:
AG001QLD
Chemical Name:
Phthalazine, 1,4-dichloro-6-nitro-
CAS Number:
159275-52-2
Molecular Formula:
C8H3Cl2N3O2
Molecular Weight:
244.0343
IUPAC Name:
1,4-dichloro-6-nitrophthalazine
InChI:
InChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)8(10)12-11-7/h1-3H
InChI Key:
NVBIMKGUWIFRHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(Cl)nnc2Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.031g/mol
Monoisotopic Mass:
242.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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