FRCD

Common Name	Dinocton 6(F11209)
2D Structure
FRCD ID	F11209
CAS Number	32534-96-6
PubChem CID	169442
Formula	C16H22N2O7
IUPAC Name	methyl [2-(6-methylheptyl)-4,6-dinitrophenyl] carbonate
InChI Key	ODOSVAWLEGXOPB-UHFFFAOYSA-N
InChI	InChI=1S/C16H22N2O7/c1-11(2)7-5-4-6-8-12-9-13(17(20)21)10-14(18(22)23)15(12)25-16(19)24-3/h9-11H,4-8H2,1-3H3
Canonical SMILES	CC(C)CCCCCC1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	CC(C)CCCCCC1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
Synonyms	Dinocton 32534-96-6 Dinocton-6 Dinocton [ISO] AC1L53RI AC1Q60KI SCHEMBL5933992 CHEBI:82064 Dinocton 6 methyl-2-(6-methylheptyl)-4,6-dinitrophenylcarbonat
Classifies	Pesticide
Update Date	Nov 13, 2018 17:07

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Nitroaromatic compounds Organic oxoazanium compounds Carbonic acid diesters
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Carbonic acid diester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

Property Name	Property Value
Molecular Weight	354.359
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Complexity	458
Monoisotopic Mass	354.143
Exact Mass	354.143
XLogP	5.5
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

Dinocton 6