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20457-77-6 | Benzoic acid, p-nitro-, anhydride with cyclic 2-ethyl-2-nitrotrimethylene phosphate (8CI)
CAS No: 20457-77-6 Catalog No: AG0029KX MDL No:
Product Description
Catalog Number:
AG0029KX
Chemical Name:
Benzoic acid, p-nitro-, anhydride with cyclic 2-ethyl-2-nitrotrimethylene phosphate (8CI)
CAS Number:
20457-77-6
IUPAC Name:
(5-ethyl-5-nitro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) 4-nitrobenzoate
InChI:
InChI=1S/C12H13N2O9P/c1-2-12(14(18)19)7-21-24(20,22-8-12)23-11(15)9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3
InChI Key:
YGSBMHNLWFAGEE-UHFFFAOYSA-N
NSC Number:
110706
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.036g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.215g/mol
Monoisotopic Mass:
360.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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