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Home > Nitro Compounds > 3871-20-3
3871-20-3 | Tris(4-nitrophenyl); phosphate
CAS No: 3871-20-3 Catalog No: AG003V7N MDL No:MFCD00024649
Product Description
Catalog Number:
AG003V7N
Chemical Name:
Tris(4-nitrophenyl); phosphate
CAS Number:
3871-20-3
Molecular Formula:
C18H12N3O10P
Molecular Weight:
461.2757
MDL Number:
MFCD00024649
IUPAC Name:
tris(4-nitrophenyl) phosphate
InChI:
InChI=1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H
InChI Key:
RZSPPBDBWOJRII-UHFFFAOYSA-N
SMILES:
O=P(Oc1ccc(cc1)[N+](=O)[O-])(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
223-389-0
NSC Number:
66455
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.026g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.279g/mol
Monoisotopic Mass:
461.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Zinc complex chemistry of N,N,O ligands providing a hydrophobic cavity. | Inorganic chemistry 20050502 |
| Copper(II) complexes of a series of polypyridine ligands possessing a 1,2-bis(2-pyridyl)ethane common moiety: incorporation and hydrolysis of phosphate esters. | Inorganic chemistry 20050207 |
| Utilization of monocrotophos as phosphorus source by Pseudomonas aeruginosa F10B and Clavibacter michiganense subsp. insidiosum SBL 11. | Canadian journal of microbiology 20030201 |
| A sterically hindered N,N,O tripod ligand and its zinc complex chemistry. | Inorganic chemistry 20010507 |
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