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Home > Nitro Compounds > 144106-37-6
144106-37-6 | 6H-Purin-6-one, 1,9-dihydro-1-(2-nitrophenyl)-
CAS No: 144106-37-6 Catalog No: AG001IYM MDL No:
Product Description
Catalog Number:
AG001IYM
Chemical Name:
6H-Purin-6-one, 1,9-dihydro-1-(2-nitrophenyl)-
CAS Number:
144106-37-6
Molecular Formula:
C11H7N5O3
Molecular Weight:
257.2050
IUPAC Name:
1-(2-nitrophenyl)-7H-purin-6-one
InChI:
InChI=1S/C11H7N5O3/c17-11-9-10(13-5-12-9)14-6-15(11)7-3-1-2-4-8(7)16(18)19/h1-6H,(H,12,13)
InChI Key:
UMIRJXXJHQXPOW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1cnc2c(c1=O)nc[nH]2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.209g/mol
Monoisotopic Mass:
257.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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