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123883-88-5 | Diphosphoric acid, mono(4-azido-2-nitrophenyl) ester (9CI)
CAS No: 123883-88-5 Catalog No: AG000L76 MDL No:
Product Description
Catalog Number:
AG000L76
Chemical Name:
Diphosphoric acid, mono(4-azido-2-nitrophenyl) ester (9CI)
CAS Number:
123883-88-5
Molecular Formula:
C6H3N4O9P2---
Molecular Weight:
337.0569
IUPAC Name:
(4-azido-2-nitrophenyl) phosphono hydrogen phosphate
InChI:
InChI=1S/C6H6N4O9P2/c7-9-8-4-1-2-6(5(3-4)10(11)12)18-21(16,17)19-20(13,14)15/h1-3H,(H,16,17)(H2,13,14,15)
InChI Key:
ZDFVFDBDGHPIRB-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])OP(=O)(OP(=O)([O-])[O-])[O-]
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.961g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.081g/mol
Monoisotopic Mass:
339.961g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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