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Home > Nitro Compounds > 179167-24-9
179167-24-9 | Phenol, 4-[1-phenyl-2-(2,4,6-trinitrophenyl)hydrazinyl]-
CAS No: 179167-24-9 Catalog No: AG0026U5 MDL No:
Product Description
Catalog Number:
AG0026U5
Chemical Name:
Phenol, 4-[1-phenyl-2-(2,4,6-trinitrophenyl)hydrazinyl]-
CAS Number:
179167-24-9
Molecular Formula:
C18H13N5O7
Molecular Weight:
411.3251
IUPAC Name:
4-(N-(2,4,6-trinitroanilino)anilino)phenol
InChI:
InChI=1S/C18H13N5O7/c24-15-8-6-13(7-9-15)20(12-4-2-1-3-5-12)19-18-16(22(27)28)10-14(21(25)26)11-17(18)23(29)30/h1-11,19,24H
InChI Key:
OXDYGSYDBHSOHV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N(c1ccccc1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.081g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.33g/mol
Monoisotopic Mass:
411.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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