Base information

Cat. No.
CAS No.5037-04-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H6ClNO5
Molecular Weight 231.59
Exact Mass 230.993
XLogP3 2.2348
Mr 53.3448
PSA 92.35
Sequence -
Atom number 21
Bond number 21
Ring number 1
Rotor number 4
Residues number 0
Canonical smiles OC(=O)COc1ccc(cc1Cl)[N+](=O)[O-]

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