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Home > Nitro Compounds > 7047-55-4
7047-55-4 | N-(4,5-DICHLORO-2-NITRO-PHENYL)-7-ETHOXY-2-OXO-CHROMENE-3-CARBOXAMIDE
CAS No: 7047-55-4 Catalog No: AG005IKI MDL No:
Product Description
Catalog Number:
AG005IKI
Chemical Name:
N-(4,5-DICHLORO-2-NITRO-PHENYL)-7-ETHOXY-2-OXO-CHROMENE-3-CARBOXAMIDE
CAS Number:
7047-55-4
Molecular Formula:
C18H12Cl2N2O6
Molecular Weight:
423.2037
IUPAC Name:
N-(4,5-dichloro-2-nitrophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
InChI:
InChI=1S/C18H12Cl2N2O6/c1-2-27-10-4-3-9-5-11(18(24)28-16(9)6-10)17(23)21-14-7-12(19)13(20)8-15(14)22(25)26/h3-8H,2H2,1H3,(H,21,23)
InChI Key:
MLSQUXVYLWPEHH-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1cc(Cl)c(cc1[N+](=O)[O-])Cl
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.007g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.202g/mol
Monoisotopic Mass:
422.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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