Acetic acid, (2,4-dichloro-6-nitrophenyl) ester
Basic information
- CAS
37169-10-1- Standard SMILES
CC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]- InChIKey
XVJWRWTVEVZQGG-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO4
- Average molar mass
- 250.03 g/mol
- Monoisotopic mass
- 248.959563
Names & identifiers
- Preferred name
- Acetic acid, (2,4-dichloro-6-nitrophenyl) ester
- IUPAC
- (2,4-dichloro-6-nitrophenyl) acetate
- English name
- 2,4-Dichloro-6-nitrophenyl=acetate
- Molecular formula
- C8H5Cl2NO4
- Molecular weight
- 250.04
Names & synonyms
ACETIC ACID, (2,4-DICHLORO-6-NITROPHENYL) ESTER37169-10-1BRN 33194302,4-Dichloro-6-nitrophenol acetate2,4-dichloro-6-nitrophenyl acetatePhenol, 2,4-dichloro-6-nitro-, acetate2,4-Dichlor-6-nitrofenylester kyseliny octove [Czech]2,4-Dichlor-6-nitrofenylester kyseliny octoveDTXSID101906482,4-Dichloro-6-nitrophenyl=acetatePhenol, 2,4-dichloro-6-nitro-, 1-acetate
Database identifiers
- CAS
37169-10-1- PubChem CID
- 37706
- DTXSID
DTXSID10190648- Nikkaji
- J54.200H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 77 · 77-77.7 °C
- Boiling point
- 333.2 · 333.2±42.0 °C(Predicted)
- Density
- 1.6319 · 1.6319 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
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Related reactions
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Compound notes
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