6-Chloropurine CAS NO.87-42-3

1. Introduction of6-Chloropurine

The 6-Chloropurine, with its CAS NO87-42-3, is a kind oflight yellow crystalline powder. It has synonyms o

1. Introduction of 6-Chloropurine

The 6-Chloropurine, with its CAS NO 87-42-3, is a kind of light yellow crystalline powder. It has synonyms of 1H-Purine, 6-chloro- (9CI);6-Chloro-1H-purine;1H-Purine, 6-chloro-;SK 6048;Purine, 6-chloro-;X 47;6-chloro-5H-purine;6-CP;6-Chloro purine 98%;NSC-744 PVC Pigment Dispersion Chips. 6-Chloropurine should be stored in shady cool warehouse.

2. Properties of 6-Chloropurine

(1) XLogP3 1.2  (2) H-Bond Don1 (3) H-Bond Accept3
(4) Tautomer Count 4  (5) Exact Mass 154.004624  (6) MonoIsotopic Mass 154.004624
(7) Topological Polar Surface Area 54.5  (8) Heavy Atom Count 10  (9) Complexity 131 
(11) Covalently-Bonded Unit Count 1  (12) Feature 3D AcceptCount 1
(13) Feature 3D DonCount 1  (14) Feature 3D Cation Count 2  (15) Feature 3D Ring Count 2
(16) Conformer Sampling RMSD 0.4  (17) CID Conformer Count 1

3. Structure descriptors of 6-Chloropurine

IUPAC Name: 6-chloro-7H-purine

InChI: InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)

InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N

Canonical SMILES : C1=NC2=C(N1)C(=NC=N2)Cl

4. Toxicity data of 6-Chloropurine