Basic information
- CAS
1743-96-0- Standard SMILES
O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)F)cc1- InChIKey
MKBFCCDCVFHRLX-UHFFFAOYSA-N- Molecular formula
- C8H4F5NO3
- Average molar mass
- 257.11 g/mol
- Monoisotopic mass
- 257.0111338
Names & identifiers
- Preferred name
- 1-Nitro-4-(pentafluoroethoxy)benzene
- IUPAC
- 1-nitro-4-(1,1,2,2,2-pentafluoroethoxy)benzene
- English name
- Benzene, 1-nitro-4-(pentafluoroethoxy)-
- Molecular formula
- C8H4F5NO3
- Molecular weight
- 257.11
Names & synonyms
1743-96-01-nitro-4-(pentafluoroethoxy)benzeneDTXSID30405382RefChem:232439DTXCID403562351-Nitro-4-(perfluoroethoxy)benzene1-nitro-4-(1,1,2,2,2-pentafluoroethoxy)benzeneMFCD02708322Benzene, 1-nitro-4-(pentafluoroethoxy)-Benzene, 1-nitro-4-(1,1,2,2,2-pentafluoroethoxy)-SCHEMBL107731694-(Pentafluoroethoxy)nitrobenzene
Show more names
MKBFCCDCVFHRLX-UHFFFAOYSA-NBAA74396AKOS008966528DB-337368CS-0216168EN300-35571Z56792551
Database identifiers
- CAS
1743-96-0- PubChem CID
- 4668554
- DTXSID
DTXSID30405382- Nikkaji
- J1.925.236A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 228 · 228.0±40.0 °C(Predicted)
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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