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Home > Nitro Compounds > 82531-53-1
82531-53-1 | 4-Benzoyloxy-5-nitro-4,5-dihydrothymine
CAS No: 82531-53-1 Catalog No: AG00GCB7 MDL No:
Product Description
Catalog Number:
AG00GCB7
Chemical Name:
4-Benzoyloxy-5-nitro-4,5-dihydrothymine
CAS Number:
82531-53-1
IUPAC Name:
(5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) benzoate
InChI:
InChI=1S/C12H11N3O6/c1-12(15(19)20)9(17)13-11(18)14-10(12)21-8(16)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,13,14,17,18)
InChI Key:
KFYWSDFWOFKPLT-UHFFFAOYSA-N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.235g/mol
Monoisotopic Mass:
293.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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