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Home > Nitro Compounds > 139909-18-5
139909-18-5 | 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-2-(phenylazo)- (9CI)
CAS No: 139909-18-5 Catalog No: AG001BSJ MDL No:
Product Description
Catalog Number:
AG001BSJ
Chemical Name:
1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-2-(phenylazo)- (9CI)
CAS Number:
139909-18-5
Molecular Formula:
C21H15N3O5
Molecular Weight:
389.3609
IUPAC Name:
1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-2-phenyldiazenylpropane-1,3-dione
InChI:
InChI=1S/C21H15N3O5/c25-18-9-5-4-8-17(18)21(27)19(23-22-15-6-2-1-3-7-15)20(26)14-10-12-16(13-11-14)24(28)29/h1-13,19,25H
InChI Key:
XDCXZHGFFNVKFY-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)c1ccccc1O)N=Nc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.101g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.367g/mol
Monoisotopic Mass:
389.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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