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25133-50-0 | 1H-Phosphole, 1-(2,4-dinitrophenoxy)-2,3-dihydro-, 1-oxide
CAS No: 25133-50-0 Catalog No: AG002QLC MDL No:
Product Description
Catalog Number:
AG002QLC
Chemical Name:
1H-Phosphole, 1-(2,4-dinitrophenoxy)-2,3-dihydro-, 1-oxide
CAS Number:
25133-50-0
Molecular Formula:
C10H9N2O6P
Molecular Weight:
284.1620
IUPAC Name:
1-(2,4-dinitrophenoxy)-2,3-dihydro-1λ5-phosphole 1-oxide
InChI:
InChI=1S/C10H9N2O6P/c13-11(14)8-3-4-10(9(7-8)12(15)16)18-19(17)5-1-2-6-19/h1,3-5,7H,2,6H2
InChI Key:
XQUMCQAFIXUZPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OP1(=O)C=CCC1)[N+](=O)[O-]
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.164g/mol
Monoisotopic Mass:
284.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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