Basic information
- Standard SMILES
O=C(Nc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1)OCC(Cl)(Cl)Cl- InChIKey
VXQGQTACCPTZAB-UHFFFAOYSA-N- Molecular formula
- C22H15BrCl3N3O6
- Average molar mass
- 603.6 g/mol
Names & identifiers
- Preferred name
- {4-[4-(4-Bromo-phenylcarbamoyl)-2-nitro-phenoxy]-phenyl}-carbamic acid 2,2,2-trichloro-ethyl ester
- IUPAC
- 2,2,2-trichloroethyl N-[4-[4-[(4-bromophenyl)carbamoyl]-2-nitrophenoxy]phenyl]carbamate
Names & synonyms
SCHEMBL1454595VXQGQTACCPTZAB-UHFFFAOYSA-N{4-[4-(4-Bromo-phenylcarbamoyl)-2-nitro-phenoxy]-phenyl}-carbamic acid 2,2,2-trichloro-ethyl ester
Database identifiers
- PubChem CID
- 67040283
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 737
Related reactions
9 records
Compound notes
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