Isobutyl 4-chloro-3,5-dinitrobenzoate

CAS	58263-53-9
Structure
Synonyms	4-Chloro-3,5-dinitro-benzoic acid isobutyl ester
IUPAC Name	2-Methylpropyl 4-chloro-3,5-dinitrobenzoate
Molecular Weight	302.67
Canonical SMILES	CC(C)COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI	InChI=1S/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3
InChI Key	MHWMKXCBVGGVSX-UHFFFAOYSA-N
Purity	95%+
Exact Mass	302.0305638
Monoisotopic Mass	302.0305638
Topological Polar Surface Area	118 Ų