C1=NC2=C(N1)C(=NC=N2)Cl
CAS: 87-42-3
Name: 6-chloro-7H-purine
SMILES: C1=NC2=C(N1)C(=NC=N2)Cl

Molecular Processing

Molecular formula
C5H3ClN4
Molecular weight
154.56
Exact mass
154.0046
XLogP
1.01
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.69

Supplementary Information

InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N
Synonyme
6-CHLOROPURINE87-42-36-Chloro-9H-purineSK 6048NSC-744OH8700156WDTXSID00861673RefChem:541955DTXCID50207764201-745-66-chloro-7H-purine6-Chloro-1H-purine1H-Purine, 6-chloro-Purine, 6-chloro-6-CP6-Chlorpurine6-Chloropurin-9-ylMFCD00075825111055-92-66-chloropurinNSC 744X 47ClP6-chloro purine133762-83-1EINECS 201-745-6AI3-26401CCRIS 39086-chloro-purineUNII-OH8700156W
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