Basic information
- CAS
17199-22-3- Standard SMILES
CC(C)(C)CC(C)(C)c1cc(Br)c(O)c([N+](=O)[O-])c1- InChIKey
RBDIWJZVNYIEMU-UHFFFAOYSA-N- Molecular formula
- C14H20BrNO3
- Average molar mass
- 330.22 g/mol
- Monoisotopic mass
- 329.06266
Names & identifiers
- Preferred name
- 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol
- IUPAC
- 2-bromo-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 2-BROMO-6-NITRO-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL
- Molecular formula
- C14H20BrNO3
- Molecular weight
- 330.22
Names & synonyms
2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol17199-22-32-bromo-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenolDTXSID3075123Phenol, 2-bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)-
Database identifiers
- CAS
17199-22-3- PubChem CID
- 28394
- DTXSID
DTXSID3075123- Nikkaji
- J1.565.054K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol (17199-22-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…