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Home > Nitro Compounds > 73908-81-3
73908-81-3 | 1,3-Dimethyl-8-(o-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
CAS No: 73908-81-3 Catalog No: AG00FPDJ MDL No:
Product Description
Catalog Number:
AG00FPDJ
Chemical Name:
1,3-Dimethyl-8-(o-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
CAS Number:
73908-81-3
IUPAC Name:
1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
InChI:
InChI=1S/C14H13N5O4/c1-17-12-11(13(20)18(2)14(17)21)15-10(16-12)7-8-5-3-4-6-9(8)19(22)23/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
BPBTWJFRRRBRGJ-UHFFFAOYSA-N
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.097g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.289g/mol
Monoisotopic Mass:
315.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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