4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
Basic information
- CAS
100482-44-8- Standard SMILES
O=[N+]([O-])c1cccc(C(Cl)CC(O)(C(F)(F)F)C(F)(F)F)c1- InChIKey
UFLYCPKQNJKUGW-UHFFFAOYSA-N- Molecular formula
- C11H8ClF6NO3
- Average molar mass
- 351.63 g/mol
- Monoisotopic mass
- 351.0096898
Names & identifiers
- Preferred name
- 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
- IUPAC
- 4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
- English name
- 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butan ol
- Molecular weight
- 0
Names & synonyms
100482-44-84-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-olDTXSID10905532RefChem:1070465DTXCID2013346364-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butanol2-BUTANOL, 4-CHLORO-4-(m-NITROPHENYL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butan olBenzenepropanol, ?-chloro-3-nitro-.alpha.,.alpha.-bis(trifluoromethyl)-?Benzenepropanol, gamma-chloro-3-nitro-alpha,alpha-bis(trifluoromethyl)-
Database identifiers
- CAS
100482-44-8- PubChem CID
- 57903
- DTXSID
DTXSID10905532- Nikkaji
- J64.668G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Comptox DTXSID
- 10905532 · DTXSID10905532
- HS Code
- 2906299090 · 2906299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906299090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…