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Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester

Basic information Safety Supplier Related

Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester Basic information

Product Name:
Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester
Synonyms:
  • Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester
  • methyl (S)-4-nitro-3-((oxetan-2-ylmethyl)amino)benzoate
  • (S)-methyl 4-nitro-3-((oxetan-2-ylmethyl)amino)benzoate
  • methyl 4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
  • Methyl (S)-4-nitro-3-[(2-oxetanylmethyl)amino]benzoate
CAS:
2230200-72-1
MF:
C12H14N2O5
MW:
266.25
Mol File:
2230200-72-1.mol
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Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester Chemical Properties

Boiling point:
468.3±40.0 °C(Predicted)
Density 
1.353±0.06 g/cm3(Predicted)
pka
-1.93±0.50(Predicted)
InChI
InChI=1S/C12H14N2O5/c1-18-12(15)8-2-3-11(14(16)17)10(6-8)13-7-9-4-5-19-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m0/s1
InChIKey
HTYWVEUBCLGQES-VIFPVBQESA-N
SMILES
C(OC)(=O)C1=CC=C([N+]([O-])=O)C(NC[C@@H]2CCO2)=C1

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