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133338-54-2 | Triphosphoric acid, P-[3-[(4-azido-2-nitrophenyl)amino]propyl] ester (9CI)
CAS No: 133338-54-2 Catalog No: AG0014OZ MDL No:
Product Description
Catalog Number:
AG0014OZ
Chemical Name:
Triphosphoric acid, P-[3-[(4-azido-2-nitrophenyl)amino]propyl] ester (9CI)
CAS Number:
133338-54-2
Molecular Formula:
C9H12N5O10P3--
Molecular Weight:
443.1404
IUPAC Name:
[2-(4-azido-2-nitroanilino)propoxy-oxophosphaniumyl] phospho phosphate
InChI:
InChI=1S/C9H10N5O10P3/c1-6(5-22-26(19)24-27(20,21)23-25(17)18)11-8-3-2-7(12-13-10)4-9(8)14(15)16/h2-4,6,11H,5H2,1H3
InChI Key:
UAHQJJOAZQEDOP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])NC(COP(=O)OP(=O)(OP(=O)[O-])[O-])C
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.964g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.125g/mol
Monoisotopic Mass:
440.964g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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