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93742-55-3 | 1H-Tetrazole, 1-(2-iodocyclohexyl)-5-phenyl-
CAS No: 93742-55-3 Catalog No: AG0061HB MDL No:
Product Description
Catalog Number:
AG0061HB
Chemical Name:
1H-Tetrazole, 1-(2-iodocyclohexyl)-5-phenyl-
CAS Number:
93742-55-3
Molecular Formula:
C13H15IN4
Molecular Weight:
354.1895
IUPAC Name:
1-(2-iodocyclohexyl)-5-phenyltetrazole
InChI:
InChI=1S/C13H15IN4/c14-11-8-4-5-9-12(11)18-13(15-16-17-18)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChI Key:
VFDNUTSMGZTDNG-UHFFFAOYSA-N
SMILES:
IC1CCCCC1n1nnnc1c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.195g/mol
Monoisotopic Mass:
354.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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