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4-(3-chlorophenyl)-1H-1,2,3-triazole

4-(3-chlorophenyl)-1H-1,2,3-triazole

CAS: 35225-01-5

Formula: C8H6ClN3

SMILES: ClC1=CC=CC(=C1)C1=CNN=N1

IUPAC: 4-(3-chlorophenyl)-1H-1,2,3-triazole

InChI: InChI=1S/C8H6ClN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)

Composition: C (53.50%), H (3.37%), Cl (19.74%), N (23.40%)

Molar Mass: 179.61

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 179.0250249
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VLAULFMSWJFSFA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.67
Topological Polar Surface Area 41.57
Polarizability 19.07
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 35225-01-5 $145.02-$664.55$145.02$237.07$664.55
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