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5-(3,5-dimethylphenoxy)-2H-1,2,3,4-tetrazole

5-(3,5-dimethylphenoxy)-2H-1,2,3,4-tetrazole

CAS: 150436-27-4

Formula: C9H10N4O

SMILES: CC1=CC(OC2=NNN=N2)=CC(C)=C1

IUPAC: 5-(3,5-dimethylphenoxy)-2H-1,2,3,4-tetrazole

InChI: InChI=1S/C9H10N4O/c1-6-3-7(2)5-8(4-6)14-9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)

Composition: C (56.83%), H (5.30%), N (29.46%), O (8.41%)

Molar Mass: 190.206

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 190.085460958
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JCVKYNOWXCOUOL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.28
Topological Polar Surface Area 63.69
Polarizability 19.27
Ring Count 2
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 150436-27-4 $51.35-$86.31$51.35$63.37$86.31
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