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sodium 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

sodium 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

CAS: 651035-58-4

Formula: C6H5ClN4Na

SMILES: [Na+].NC1=NC(Cl)=C2C=CNC2=N1

IUPAC: sodium 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

InChI: InChI=1S/C6H5ClN4.Na/c7-4-3-1-2-9-5(3)11-6(8)10-4;/h1-2H,(H3,8,9,10,11);/q;+1

Composition: C (37.62%), H (2.63%), Cl (18.50%), N (29.25%), Na (12.00%)

Molar Mass: 191.57

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 191.0094946
Formal Charge 1
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AOHGNAOYILMKMG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.27
Topological Polar Surface Area 67.59
Polarizability 16.2
Ring Count 2
Rotatable Bond Count 0

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