200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 116266-17-2
116266-17-2 | 9,10-Anthracenedione, 2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitro-
CAS No: 116266-17-2 Catalog No: AG000C2Y MDL No:
Product Description
Catalog Number:
AG000C2Y
Chemical Name:
9,10-Anthracenedione, 2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitro-
CAS Number:
116266-17-2
Molecular Formula:
C24H18N2O9
Molecular Weight:
478.4077
IUPAC Name:
2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C24H18N2O9/c1-2-3-10-35-13-6-4-12(5-7-13)14-11-16(26(33)34)19-21(22(14)28)24(30)18-15(25(31)32)8-9-17(27)20(18)23(19)29/h4-9,11,27-28H,2-3,10H2,1H3
InChI Key:
UTYQTDRTQWTZPU-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1cc([N+](=O)[O-])c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-]
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.101g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
478.413g/mol
Monoisotopic Mass:
478.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.