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5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

Formula: C8H6Cl2N4

SMILES: NC1=NNC(=N1)C1=CC=C(Cl)C=C1Cl

IUPAC: 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C8H6Cl2N4/c9-4-1-2-5(6(10)3-4)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14)

Composition: C (41.95%), H (2.64%), Cl (30.95%), N (24.46%)

Molar Mass: 229.06

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.9969516
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QJMITVPZPBGSTE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.28
Topological Polar Surface Area 67.59
Polarizability 21.47
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C8H6Cl2N4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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