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2-chloro-4-methoxy-5H,6H,7H-cyclopenta[d]pyrimidine

2-chloro-4-methoxy-5H,6H,7H-cyclopenta[d]pyrimidine

CAS: 81532-47-0

Formula: C8H9ClN2O

SMILES: COC1=C2CCCC2=NC(Cl)=N1

IUPAC: 2-chloro-4-methoxy-5H,6H,7H-cyclopenta[d]pyrimidine

InChI: InChI=1S/C8H9ClN2O/c1-12-7-5-3-2-4-6(5)10-8(9)11-7/h2-4H2,1H3

Composition: C (52.05%), H (4.91%), Cl (19.20%), N (15.17%), O (8.67%)

Molar Mass: 184.62

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.0403406
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RUKMSXKHIXSVSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.45
Topological Polar Surface Area 35.01
Polarizability 17.75
Ring Count 2
Rotatable Bond Count 1

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95% <2 Days 81532-47-0 $51.35-$374.73$51.35$63.37$86.31$374.73
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