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69258-90-8

69258-90-8 | Diphosphoric acid, mono[2-(4-azidophenyl)ethyl] ester

CAS No: 69258-90-8 Catalog No: AG005K8H MDL No:

Product Description

Catalog Number:
AG005K8H
Chemical Name:
Diphosphoric acid, mono[2-(4-azidophenyl)ethyl] ester
CAS Number:
69258-90-8
Molecular Formula:
C8H8N3O7P2---
Molecular Weight:
320.1125
IUPAC Name:
[2-(4-azidophenyl)ethoxy-oxidophosphoryl] phosphate
InChI:
InChI=1S/C8H11N3O7P2/c9-11-10-8-3-1-7(2-4-8)5-6-17-20(15,16)18-19(12,13)14/h1-4H,5-6H2,(H,15,16)(H2,12,13,14)/p-3
InChI Key:
RFZIGLJCBPPMFX-UHFFFAOYSA-K
SMILES:
[O-]P(=O)(OP(=O)([O-])[O-])OCCc1ccc(cc1)N=[N+]=[N-]

Properties

Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.984g/mol
Formal Charge:
-3  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.114g/mol
Monoisotopic Mass:
319.984g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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