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140900-68-1 | Phosphonic acid, [6-(3-azidophenyl)-2-oxohexyl]-, dimethyl ester (9CI)
CAS No: 140900-68-1 Catalog No: AG001CZM MDL No:
Product Description
Catalog Number:
AG001CZM
Chemical Name:
Phosphonic acid, [6-(3-azidophenyl)-2-oxohexyl]-, dimethyl ester (9CI)
CAS Number:
140900-68-1
Molecular Formula:
C14H20N3O4P
Molecular Weight:
325.3001
IUPAC Name:
6-(3-azidophenyl)-1-dimethoxyphosphorylhexan-2-one
InChI:
InChI=1S/C14H20N3O4P/c1-20-22(19,21-2)11-14(18)9-4-3-6-12-7-5-8-13(10-12)16-17-15/h5,7-8,10H,3-4,6,9,11H2,1-2H3
InChI Key:
FCADAFGLPOUQBE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cccc(c1)CCCCC(=O)CP(=O)(OC)OC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.305g/mol
Monoisotopic Mass:
325.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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