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1233032-22-8 | 3-Cyclobutene-1,2-dione, 3-ethoxy-4-[(4-nitrophenyl)amino]-
CAS No: 1233032-22-8 Catalog No: AG000KAL MDL No:
Product Description
Catalog Number:
AG000KAL
Chemical Name:
3-Cyclobutene-1,2-dione, 3-ethoxy-4-[(4-nitrophenyl)amino]-
CAS Number:
1233032-22-8
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
IUPAC Name:
3-ethoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C12H10N2O5/c1-2-19-12-9(10(15)11(12)16)13-7-3-5-8(6-4-7)14(17)18/h3-6,13H,2H2,1H3
InChI Key:
POZIPOSYQNZGEE-UHFFFAOYSA-N
SMILES:
CCOC1=C(C(=O)C1=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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