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3-{[5-(2,3-dichlorophenyl)-1,2,3,4-tetrazol-1-yl]methyl}pyridine hydrochloride

3-{[5-(2,3-dichlorophenyl)-1,2,3,4-tetrazol-1-yl]methyl}pyridine hydrochloride

CAS: 899431-18-6

Formula: C13H10Cl3N5

SMILES: Cl[H].ClC1=C(Cl)C(=CC=C1)C1=NN=NN1CC1=CC=CN=C1

IUPAC: 3-{[5-(2,3-dichlorophenyl)-1H-1,2,3,4-tetrazol-1-yl]methyl}pyridine hydrochloride

InChI: InChI=1S/C13H9Cl2N5.ClH/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9;/h1-7H,8H2;1H

Composition: C (45.57%), H (2.94%), Cl (31.04%), N (20.44%)

Molar Mass: 342.61

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 341.0001784
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MBTJFFMIPPMRGR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.7
Topological Polar Surface Area 56.49
Polarizability 29.94
Ring Count 3
Rotatable Bond Count 3

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