2-Chloroethyl 4-Methyl-3-Nitrobenzoate

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Properties Simple | Detailed

Formula C10H10ClNO4
IUPAC Name 2-chloroethyl 4-methyl-3-nitro-benzoate
Molecular Mass 243.644 g·mol−1
Heat of Formation -364.7 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 265.0 Å 3
Surface Area 248.46 Å 2
HOMO Energy -10.60 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloroethyl 3-nitro-p-toluate
  • 4-methyl-3-nitro-benzoic acid 2-chloroethyl ester
  • 4-methyl-3-nitrobenzoic acid 2-chloroethyl ester
CAS Number(s)
  • 59383-11-8
InChIKey FHTNGTPVGWEJPG-UHFFFAOYSA-N
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Elements H C N O Cl