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

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

CAS: 118802-40-7

Formula: C8H9ClN2

SMILES: CC1=NC(Cl)=C2CCCC2=N1

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

InChI: InChI=1S/C8H9ClN2/c1-5-10-7-4-2-3-6(7)8(9)11-5/h2-4H2,1H3

Composition: C (56.98%), H (5.38%), Cl (21.02%), N (16.61%)

Molar Mass: 168.62

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.045426
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LAXXXFLVHDQNLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.67
Topological Polar Surface Area 25.78
Polarizability 16.9
Ring Count 2
Rotatable Bond Count 0

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Life Chemicals USA, Inc.
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 118802-40-7 $135.63-$1,870.11$135.63$233.64$403.92$882.09$1,331.55$1,870.11
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 118802-40-7 $359.39-$1,511.94$359.39$1,511.94
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Chemcia Scientific, LLC
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95% <2 Days 118802-40-7 $258.75$258.75
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