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Home > Nitro Compounds > 20133-63-5
20133-63-5 | Benzoic acid, anhydride with cyclic 2-ethyl-2-nitrotrimethylene phosphate (8CI)
CAS No: 20133-63-5 Catalog No: AG002DCS MDL No:
Product Description
Catalog Number:
AG002DCS
Chemical Name:
Benzoic acid, anhydride with cyclic 2-ethyl-2-nitrotrimethylene phosphate (8CI)
CAS Number:
20133-63-5
IUPAC Name:
(5-ethyl-5-nitro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) benzoate
InChI:
InChI=1S/C12H14NO7P/c1-2-12(13(15)16)8-18-21(17,19-9-12)20-11(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
HTGQQTSXDFSUKS-UHFFFAOYSA-N
NSC Number:
110703
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.218g/mol
Monoisotopic Mass:
315.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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