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4-[5-(4-chlorophenyl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline

4-[5-(4-chlorophenyl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline

Formula: C18H17ClN6

SMILES: CN(C)C1=CC=C(C=C1)C1CC(=NC2=NN=NN12)C1=CC=C(Cl)C=C1

IUPAC: 4-[5-(4-chlorophenyl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline

InChI: InChI=1/C18H17ClN6/c1-24(2)15-9-5-13(6-10-15)17-11-16(12-3-7-14(19)8-4-12)20-18-21-22-23-25(17)18/h3-10,17H,11H2,1-2H3

Composition: C (61.28%), H (4.86%), Cl (10.05%), N (23.82%)

Molar Mass: 352.83

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 352.1203223
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey WIHKVZPIXWZJHN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.81
Topological Polar Surface Area 59.2
Polarizability 36.69
Ring Count 4
Rotatable Bond Count 3

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H17ClN6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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