2-Methylpropyl 4-chloro-3,5-dinitrobenzoate

CAS Registry Number®

58263-53-9
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CAS Name

2-Methylpropyl 4-chloro-3,5-dinitrobenzoate

Molecular Formula

C11H11ClN2O6

Molecular Mass

302.67

Cite this Page

2-Methylpropyl 4-chloro-3,5-dinitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58263-53-9 (retrieved 2024-09-07) (CAS RN: 58263-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=MHWMKXCBVGGVSX-UHFFFAOYSA-N

SMILES

C(OCC(C)C)(=O)C1=CC(N(=O)=O)=C(Cl)C(N(=O)=O)=C1

Canonical SMILES

O=C(OCC(C)C)C=1C=C(C(Cl)=C(C1)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-chloro-3,5-dinitro-, 2-methylpropyl ester
  • 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate
  • 4-Chloro-3,5-dinitrobenzoic acid isobutyl ester