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Home > Imidazoles > 716316-21-1
716316-21-1 | 1H-Imidazole, 1-(diphenylphosphinyl)-4-nitro-
CAS No: 716316-21-1 Catalog No: AG005RFO MDL No:
Product Description
Catalog Number:
AG005RFO
Chemical Name:
1H-Imidazole, 1-(diphenylphosphinyl)-4-nitro-
CAS Number:
716316-21-1
Molecular Formula:
C15H12N3O3P
Molecular Weight:
313.2478
IUPAC Name:
1-diphenylphosphoryl-4-nitroimidazole
InChI:
InChI=1S/C15H12N3O3P/c19-18(20)15-11-17(12-16-15)22(21,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChI Key:
VWLIPWPMJLGUTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1)P(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.253g/mol
Monoisotopic Mass:
313.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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