Basic information
- CAS
132636-13-6- Standard SMILES
O=[N+]([O-])c1cccc(OCCCCl)c1- InChIKey
TUVHZIRZPUPODN-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO3
- Average molar mass
- 215.63 g/mol
- Monoisotopic mass
- 215.0349209
Names & identifiers
- Preferred name
- 1-(3-Chloropropoxy)-3-nitrobenzene
- IUPAC
- 1-(3-chloropropoxy)-3-nitrobenzene
- English name
- 1-(3-chloropropoxy)-3-nitrobenzene
- Molecular formula
- C9H10ClNO3
- Molecular weight
- 215.63
Names & synonyms
1-(3-CHLOROPROPOXY)-3-NITROBENZENE132636-13-61-(3-Chloro-propoxy)-3-nitro-benzeneSCHEMBL3975841DTXSID70431847TUVHZIRZPUPODN-UHFFFAOYSA-N3-(3-nitrophenoxy)-1-chloropropaneAKOS000141886DB-092641UKRORGSYN-BB BBV-022721Benzene, 1-(3-chloropropoxy)-3-nitro-
Database identifiers
- CAS
132636-13-6- PubChem CID
- 9855893
- DTXSID
DTXSID70431847- Nikkaji
- J346.342G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 349.4 · 349.4±17.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
UKRORGSYN-BB[email protected]
Related reactions
11 records
Compound notes
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