(3-Nitro-4'-trifluoromethoxy-biphenyl-4-yl)-carbamic acid tert.-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-]- InChIKey
SKFYAYAELXEHGA-UHFFFAOYSA-N- Molecular formula
- C18H17F3N2O5
- Average molar mass
- 398.3 g/mol
Names & identifiers
- Preferred name
- (3-Nitro-4'-trifluoromethoxy-biphenyl-4-yl)-carbamic acid tert.-butyl ester
- IUPAC
- tert-butyl N-[2-nitro-4-[4-(trifluoromethoxy)phenyl]phenyl]carbamate
Names & synonyms
(3-Nitro-4'-trifluoromethoxy-biphenyl-4-yl)-carbamic acid tert.-butyl esterSCHEMBL5868937
Database identifiers
- PubChem CID
- 69592811
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
8 records
Compound notes
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