2-chloro-6-methoxy-9H-purine

2-chloro-6-methoxy-9H-purine

CAS: 1198-46-5

Formula: C6H5ClN4O

SMILES: COC1=C2N=CNC2=NC(Cl)=N1

IUPAC: 2-chloro-6-methoxy-9H-purine

InChI: InChI=1S/C6H5ClN4O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H,8,9,10,11)

Composition: C (39.04%), H (2.73%), Cl (19.21%), N (30.35%), O (8.67%)

Molar Mass: 184.58

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	184.0151885
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MTDSMFYWSAISJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.86
Topological Polar Surface Area	63.69
Polarizability	16.82
Ring Count	2
Rotatable Bond Count	1

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