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

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

CAS: 220429-69-6

Formula: C13H10N4O

SMILES: N1N=NC(=N1)C1=CC=CC=C1OC1=CC=CC=C1

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

InChI: InChI=1S/C13H10N4O/c1-2-6-10(7-3-1)18-12-9-5-4-8-11(12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)

Composition: C (65.54%), H (4.23%), N (23.52%), O (6.72%)

Molar Mass: 238.25

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 238.085460958
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GHCLLWCBVCNWTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.66
Topological Polar Surface Area 63.69
Polarizability 25.99
Ring Count 3
Rotatable Bond Count 3

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