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Home Halogens 2-chloro-N-(3-methoxyphenyl)-7H-purin-6-amine

2-chloro-N-(3-methoxyphenyl)-7H-purin-6-amine

CAS No.:
190654-89-8
Catalog Number:
AG01C2SA
Molecular Formula:
C12H10ClN5O
Molecular Weight:
275.6937
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Product Description
Catalog Number:
AG01C2SA
Chemical Name:
2-chloro-N-(3-methoxyphenyl)-7H-purin-6-amine
CAS Number:
190654-89-8
Molecular Formula:
C12H10ClN5O
Molecular Weight:
275.6937
MDL Number:
MFCD27285763
IUPAC Name:
2-chloro-N-(3-methoxyphenyl)-7H-purin-6-amine
InChI:
InChI=1S/C12H10ClN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18)
InChI Key:
VEMDTFVUDJLJKF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1nc(Cl)nc2c1[nH]cn2
Properties
Complexity:
308  
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:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.696g/mol
Monoisotopic Mass:
275.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Novel potent inhibitors of A. thaliana cytokinin oxidase/dehydrogenase. Bioorganic & medicinal chemistry 20081015
Properties