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192316-11-3 | Cyclohexanol, 1-[1-(methoxyphenylmethyl)-1H-1,2,4-triazol-3-yl]-
CAS No: 192316-11-3 Catalog No: AG002FU8 MDL No:
Product Description
Catalog Number:
AG002FU8
Chemical Name:
Cyclohexanol, 1-[1-(methoxyphenylmethyl)-1H-1,2,4-triazol-3-yl]-
CAS Number:
192316-11-3
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
IUPAC Name:
1-[1-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]cyclohexan-1-ol
InChI:
InChI=1S/C16H21N3O2/c1-21-14(13-8-4-2-5-9-13)19-12-17-15(18-19)16(20)10-6-3-7-11-16/h2,4-5,8-9,12,14,20H,3,6-7,10-11H2,1H3
InChI Key:
BQCLSJHPRHNJEN-UHFFFAOYSA-N
SMILES:
COC(n1cnc(n1)C1(O)CCCCC1)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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