Home Other Building Blocks 2H-Tetrazole, 5-[4-(1,1-dimethylethyl)phenyl]-

2H-Tetrazole, 5-[4-(1,1-dimethylethyl)phenyl]-

CAS No.:
126393-38-2
Catalog Number:
AG000SQG
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
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Product Description
Catalog Number:
AG000SQG
Chemical Name:
2H-Tetrazole, 5-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
126393-38-2
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD00673172
IUPAC Name:
5-(4-tert-butylphenyl)-2H-tetrazole
InChI:
InChI=1S/C11H14N4/c1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10/h4-7H,1-3H3,(H,12,13,14,15)
InChI Key:
QHSLNQKCYGFLER-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1n[nH]nn1)(C)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties