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Home > Nitro Compounds > 73215-03-9
73215-03-9 | 9-(PARA-NITROBENZYL)ADENINE
CAS No: 73215-03-9 Catalog No: AG00FW6F MDL No:
Product Description
Catalog Number:
AG00FW6F
Chemical Name:
9-(PARA-NITROBENZYL)ADENINE
CAS Number:
73215-03-9
IUPAC Name:
9-[(4-nitrophenyl)methyl]purin-6-amine
InChI:
InChI=1S/C12H10N6O2/c13-11-10-12(15-6-14-11)17(7-16-10)5-8-1-3-9(4-2-8)18(19)20/h1-4,6-7H,5H2,(H2,13,14,15)
InChI Key:
RPALJMDJHWZXMU-UHFFFAOYSA-N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.252g/mol
Monoisotopic Mass:
270.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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