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1402836-58-1 | 5H-Imidazo[5,1-a]isoindole-5-ethanol, α-cyclohexyl-
CAS No: 1402836-58-1 Catalog No: AG001C7V MDL No:MFCD26142661
Product Description
Catalog Number:
AG001C7V
Chemical Name:
5H-Imidazo[5,1-a]isoindole-5-ethanol, α-cyclohexyl-
CAS Number:
1402836-58-1
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
MDL Number:
MFCD26142661
IUPAC Name:
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
InChI:
InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
InChI Key:
YTRRAUACYORZLX-UHFFFAOYSA-N
SMILES:
OC(C1CCCCC1)CC1c2ccccc2c2n1cnc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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