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1119391-67-1 | 2-nitro-3-((3-nitrophenyl)amino)cyclohex-2-en-1-one
CAS No: 1119391-67-1 Catalog No: AG01FON7 MDL No:
Product Description
Catalog Number:
AG01FON7
Chemical Name:
2-nitro-3-((3-nitrophenyl)amino)cyclohex-2-en-1-one
CAS Number:
1119391-67-1
IUPAC Name:
2-nitro-3-(3-nitroanilino)cyclohex-2-en-1-one
InChI:
InChI=1S/C12H11N3O5/c16-11-6-2-5-10(12(11)15(19)20)13-8-3-1-4-9(7-8)14(17)18/h1,3-4,7,13H,2,5-6H2
InChI Key:
ZFJUFOOKXWBXSE-UHFFFAOYSA-N
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.236g/mol
Monoisotopic Mass:
277.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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