N-Acetyl-S-(2-Bromophenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H12BrNO3S
IUPAC Name (2r)-2-acetamido-3-(2-bromophenyl)sulfanyl-propanoic acid
Molecular Mass 318.187 g·mol−1
Heat of Formation -486.7 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 307.64 Å 3
Surface Area 252.74 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(2-bromophenyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-(2-bromophenyl)sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(2-bromophenyl)thio]propanoic acid
  • (2r)-2-acetamido-3-[(2-bromophenyl)thio]propionic acid
  • o-bpma
  • ortho-bromophenylmercapturic acid
  • s-(2-bromophenyl)mercapturic acid
CAS Number(s)
  • 113276-92-9
InChIKey BCEPAWKGKVEGSZ-VIFPVBQESA-N
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Elements C H O N S Br