Home Other Building Blocks 4-tert-butyl-3-phenyl-4H-1,2,4-triazole

4-tert-butyl-3-phenyl-4H-1,2,4-triazole

CAS No.:
1380492-54-5
Catalog Number:
AG01EIF4
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
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Product Description
Catalog Number:
AG01EIF4
Chemical Name:
4-tert-butyl-3-phenyl-4H-1,2,4-triazole
CAS Number:
1380492-54-5
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD25689067
IUPAC Name:
4-tert-butyl-3-phenyl-1,2,4-triazole
InChI:
InChI=1S/C12H15N3/c1-12(2,3)15-9-13-14-11(15)10-7-5-4-6-8-10/h4-9H,1-3H3
InChI Key:
SXQCUICPALGDDP-UHFFFAOYSA-N
SMILES:
CC(n1cnnc1c1ccccc1)(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:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties