Isoborneol 4-nitrobenzoate structure

Isoborneol 4-nitrobenzoate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate

Also Known As: Isoborneol 4-nitrobenzoate|Oprea1_503264|(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate|1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-nitrobenzoate|(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate|1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-nitrobenzoate #|1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 4-NITROBENZOATE|(1S,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 4-NITROBENZOATE

CAS: 53391-96-1
Molecular Formula C17H21NO4
Molecular Weight 303.14706 g/mol
LogP 4.6
Topological Polar Surface Area 72.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 303.14706
Monoisotopic Mass 303.14706
Heavy Atoms 22
Complexity 476.0

Chemical Identifiers

CAS Number 53391-96-1
SMILES CC1(C2CCC1(C(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C
InChIKey VZBJKOLKZKRUSB-UHFFFAOYSA-N

Product Overview

Isoborneol 4-nitrobenzoate (CAS 53391-96-1), with molecular formula C17H21NO4 and molecular weight 303.14706 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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