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5-(p-Tolyl)-1H-tetrazole

Catalog Number
ACM24994045
Product Name
5-(p-Tolyl)-1H-tetrazole
Structure
CAS
24994-04-5
Category
Ligands for Functional Metal Complexes
IUPAC Name
5-(4-methylphenyl)-2H-tetrazole
Molecular Weight
160.18g/mol
Molecular Formula
C8H8N4
Canonical SMILES
CC1=CC=C(C=C1)C2=NNN=N2
InChI
InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChI Key
BCCJIAZPYBJASR-UHFFFAOYSA-N
Complexity
142
Covalently-Bonded Unit Count
1
Exact Mass
160.074896g/mol
Formal Charge
0
Heavy Atom Count
12
Monoisotopic Mass
160.074896g/mol
NSC Number
141938
Rotatable Bond Count
1
XLogP3
1.5
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