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140406-56-0 | 2H-Tetrazole, 2-cyclohexyl-5-phenyl-
CAS No: 140406-56-0 Catalog No: AG001CDE MDL No:
Product Description
Catalog Number:
AG001CDE
Chemical Name:
2H-Tetrazole, 2-cyclohexyl-5-phenyl-
CAS Number:
140406-56-0
Molecular Formula:
C13H16N4
Molecular Weight:
228.2929
IUPAC Name:
2-cyclohexyl-5-phenyltetrazole
InChI:
InChI=1S/C13H16N4/c1-3-7-11(8-4-1)13-14-16-17(15-13)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key:
RBURPPYVKCKFBK-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)n1nnc(n1)c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.299g/mol
Monoisotopic Mass:
228.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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