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Home > Nitro Compounds > 875766-57-7
875766-57-7 | 1,10-Phenanthroline-2,9-diacetamide, N,N'-bis(2,4-dinitrophenyl)-
CAS No: 875766-57-7 Catalog No: AG004MDT MDL No:
Product Description
Catalog Number:
AG004MDT
Chemical Name:
1,10-Phenanthroline-2,9-diacetamide, N,N'-bis(2,4-dinitrophenyl)-
CAS Number:
875766-57-7
Molecular Formula:
C28H18N8O10
Molecular Weight:
626.4901
IUPAC Name:
2-[9-[2-(2,4-dinitroanilino)-2-oxoethyl]-1,10-phenanthrolin-2-yl]-N-(2,4-dinitrophenyl)acetamide
InChI:
InChI=1S/C28H18N8O10/c37-25(31-21-9-7-19(33(39)40)13-23(21)35(43)44)11-17-5-3-15-1-2-16-4-6-18(30-28(16)27(15)29-17)12-26(38)32-22-10-8-20(34(41)42)14-24(22)36(45)46/h1-10,13-14H,11-12H2,(H,31,37)(H,32,38)
InChI Key:
UPPBTQHKJOPEQS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cc1ccc2c(n1)c1nc(ccc1cc2)CC(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.115g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
626.498g/mol
Monoisotopic Mass:
626.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
267A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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