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17756-37-5 | 6H-Purin-6-one, 2-amino-9-[(2-chlorophenyl)methyl]-1,9-dihydro-
CAS No: 17756-37-5 Catalog No: AG0025E8 MDL No:
Product Description
Catalog Number:
AG0025E8
Chemical Name:
6H-Purin-6-one, 2-amino-9-[(2-chlorophenyl)methyl]-1,9-dihydro-
CAS Number:
17756-37-5
Molecular Formula:
C12H10ClN5O
Molecular Weight:
275.6937
IUPAC Name:
2-amino-9-[(2-chlorophenyl)methyl]-1H-purin-6-one
InChI:
InChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)5-18-6-15-9-10(18)16-12(14)17-11(9)19/h1-4,6H,5H2,(H3,14,16,17,19)
InChI Key:
AYGAOWACJNFQGX-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Cn1cnc2c1nc(N)[nH]c2=O
NSC Number:
29586
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.696g/mol
Monoisotopic Mass:
275.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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