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Home > Nitro Compounds > 123261-80-3
123261-80-3 | 1,3-Propanedione, 2-diazo-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-
CAS No: 123261-80-3 Catalog No: AG000K8I MDL No:
Product Description
Catalog Number:
AG000K8I
Chemical Name:
1,3-Propanedione, 2-diazo-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-
CAS Number:
123261-80-3
Molecular Formula:
C16H11N3O5
Molecular Weight:
325.2756
IUPAC Name:
2-diazo-1-(4-methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione
InChI:
InChI=1S/C16H11N3O5/c1-24-13-8-4-11(5-9-13)16(21)14(18-17)15(20)10-2-6-12(7-3-10)19(22)23/h2-9H,1H3
InChI Key:
JBWWMOOOPAMXMZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(=[N+]=[N-])C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.28g/mol
Monoisotopic Mass:
325.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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