2-Amino-5-(4-Amino-3-Chloro-5-Hydroxybenzyl)-3-Chlorophenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C13H12Cl2N2O5S
IUPAC Name [2-amino-5-[(4-amino-3-chloro-5-hydroxy-phenyl)methyl]-3-chloro-phenyl] hydrogen sulfate
Molecular Mass 379.216 g·mol−1
Heat of Formation -791.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 380.15 Å 3
Surface Area 334.63 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5'-sulfate
  • 5-hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate
  • [2-amino-5-(4-amino-3-chloro-5-hydroxy-benzyl)-3-chloro-phenyl] hydrogen sulfate
  • [2-amino-5-[(4-amino-3-chloro-5-hydroxyphenyl)methyl]-3-chlorophenyl] hydrogen sulfate
  • phenol, 2-amino-5-((4-amino-3-chloro-5-hydroxyphenyl)methyl)-3-chloro-, (11beta,17alpha,20e)-
CAS Number(s)
  • 94887-71-5
InChIKey SJQPCKVDKVTPGZ-UHFFFAOYSA-N
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