2-Chloro-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol
Basic information
- CAS
17199-21-2- Standard SMILES
CC(C)(C)CC(C)(C)c1cc(Cl)c(O)c([N+](=O)[O-])c1- InChIKey
CMZFNWJNFPSWLL-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO3
- Average molar mass
- 285.76 g/mol
- Monoisotopic mass
- 285.1131712
Names & identifiers
- Preferred name
- 2-Chloro-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol
- IUPAC
- 2-chloro-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 2-Chloro-6-nitro-(1,1,3,3-tetramethylbutyl)phenol
- Molecular weight
- 0
Names & synonyms
17199-21-22-chloro-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenolPhenol, 2-chloro-6-nitro-4-(1,1,3,3-tetramethylbutyl)-DTXSID809380792-Chloro-6-nitro-(1,1,3,3-tetramethylbutyl)phenol
Database identifiers
- CAS
17199-21-2- PubChem CID
- 28393
- DTXSID
DTXSID80938079- Nikkaji
- J1.565.050H
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
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Compound notes
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