Ethyl {4-[3-(Aminomethyl)-4-Hydroxybenzoyl]-2,3-Dichlorophenoxy}Acetate

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Properties Simple | Detailed

Formula C18H17Cl2NO5
IUPAC Name ethyl 2-[4-[3-(aminomethyl)-4-hydroxy-benzoyl]-2,3-dichloro-phenoxy]acetate
Molecular Mass 398.237 g·mol−1
Heat of Formation -760.0 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 432.6 Å 3
Surface Area 341.11 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3-dichloro-4-(3-aminomethyl-4-hydroxybenzoyl)phenoxy)acetic acid ethyl ester
  • 2-[4-[3-(aminomethyl)-4-hydroxy-benzoyl]-2,3-dichloro-phenoxy]acetic acid ethyl ester
  • 2-[4-[[3-(aminomethyl)-4-hydroxyphenyl]-oxomethyl]-2,3-dichlorophenoxy]acetic acid ethyl ester
  • a 49816
  • acetic acid, (4-(3-(aminomethyl)-4-hydroxybenzoyl)-2,3-dichlorophenoxy)-, ethyl ester
  • ethyl 2-[4-[3-(aminomethyl)-4-hydroxy-phenyl]carbonyl-2,3-dichloro-phenoxy]ethanoate
  • ethyl 2-[4-[3-(aminomethyl)-4-hydroxybenzoyl]-2,3-dichlorophenoxy]acetate
CAS Number(s)
  • 78235-72-0
InChIKey KWDSYQYCWWCCAV-UHFFFAOYSA-N
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