3-(2H-1,2,3,4-tetrazol-5-yl)benzonitrile

3-(2H-1,2,3,4-tetrazol-5-yl)benzonitrile

CAS: 50907-33-0

Formula: C8H5N5

SMILES: N#CC1=CC=CC(=C1)C1=NNN=N1

IUPAC: 3-(2H-1,2,3,4-tetrazol-5-yl)benzonitrile

InChI: InChI=1S/C8H5N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13)

Composition: C (56.14%), H (2.94%), N (40.92%)

Molar Mass: 171.163

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	171.054495181
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RFUUHOIIHXKYOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.14
Topological Polar Surface Area	78.25
Polarizability	17.49
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	50907-33-0		$299.12$299.12