C1=NC2=C(N1)C(=NC(=N2)Cl)Cl
CAS: 5451-40-1
Name: 2,6-dichloro-7H-purine
SMILES: C1=NC2=C(N1)C(=NC(=N2)Cl)Cl

Molecular Processing

Molecular formula
C5H2Cl2N4
Molecular weight
189
Exact mass
187.9657
XLogP
1.66
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.7

Supplementary Information

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N
Synonyme
2,6-Dichloropurine5451-40-1DTXSID60202922RefChem:445475DTXCID90125413226-681-62,6-dichloro-9H-purine2,6-dichloro-7H-purine2,6-Dichloro-1H-purineMFCD000777259H-purine, 2,6-dichloro-1H-Purine, 2,6-dichloro-2,6-bis(chloranyl)-7H-purinePurine, 2,6-dichloro-NSC-183952,6-DICHLORO PURINE2,6 dichloropurineEINECS 226-681-62,6-DichioropurineNSC 18395Purine,6-dichloro-2,6-dichloro-purine2, 6-DichloropurineAI3-519501H-Purine,6-dichloro-2,6-dichlor-9H-purinW6WK3TS9AP2 pound not6-DichloropurineSCHEMBL37383SCHEMBL37384
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