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5-(2-chloroethyl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraene

5-(2-chloroethyl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraene

Formula: C11H12ClN3

SMILES: ClCCN1CCN2C1=NC1=CC=CC=C21

IUPAC: 5-(2-chloroethyl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraene

InChI: InChI=1S/C11H12ClN3/c12-5-6-14-7-8-15-10-4-2-1-3-9(10)13-11(14)15/h1-4H,5-8H2

Composition: C (59.60%), H (5.46%), Cl (15.99%), N (18.96%)

Molar Mass: 221.69

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.0719751
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GNXNQWVLLARLEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.14
Topological Polar Surface Area 21.06
Polarizability 24.14
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H12ClN3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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