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89219-16-9 | Cyclohexanol, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 89219-16-9 Catalog No: AG0044PH MDL No:
Product Description
Catalog Number:
AG0044PH
Chemical Name:
Cyclohexanol, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89219-16-9
Molecular Formula:
C14H16ClN3O
Molecular Weight:
277.7493
IUPAC Name:
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
InChI:
InChI=1S/C14H16ClN3O/c15-12-6-4-11(5-7-12)14(19)8-2-1-3-13(14)18-10-16-9-17-18/h4-7,9-10,13,19H,1-3,8H2
InChI Key:
OXEOAIYVQBYMAX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(O)CCCCC1n1cncn1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.752g/mol
Monoisotopic Mass:
277.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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