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2-chloro-5H-pyrrolo[3,2-d]pyrimidine

2-chloro-5H-pyrrolo[3,2-d]pyrimidine

CAS: 1119280-66-8

Formula: C6H4ClN3

SMILES: ClC1=NC=C2NC=CC2=N1

IUPAC: 2-chloro-5H-pyrrolo[3,2-d]pyrimidine

InChI: InChI=1S/C6H4ClN3/c7-6-9-3-5-4(10-6)1-2-8-5/h1-3,8H

Composition: C (46.93%), H (2.63%), Cl (23.08%), N (27.36%)

Molar Mass: 153.57

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 153.0093748
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LWPPASWKWXDDFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.94
Topological Polar Surface Area 41.57
Polarizability 15.75
Ring Count 2
Rotatable Bond Count 0

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