Basic information
- Standard SMILES
O=C(CCl)c1cccc([N+](=O)[O-])c1- InChIKey
LBHUVZXFCGZYDL-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 2-Chloro-1-(3-nitrophenyl)ethanone
- IUPAC
- 2-chloro-1-(3-nitrophenyl)ethanone
- English name
- α-Chloro-3'-nitroacetophenone
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
2-chloro-1-(3-nitrophenyl)ethanone99-47-8RefChem:1062718Acetophenone, 2-chloro-m-nitro-2-Chloro-m-nitroacetophenoneUSAF MA-8BRN 1958853alpha-Chloro-m-nitro-acetophenone2-Chloro-1-(3-nitrophenyl)ethan-1-one3-07-00-00996 (Beilstein Handbook Reference)SCHEMBL3910668DTXSID10870438
Show more names
α-Chloro-3'-nitroacetophenoneEthanone, 2-chloro-1-(3-nitrophenyl)-
LBHUVZXFCGZYDL-UHFFFAOYSA-Nalpha-chloro-meta -nitroacetophenone.alpha.-Chloro-m-nitro-acetophenone2-CHLORO-3'-NITROACETOPHENONEAKOS002392958
Database identifiers
- CAS
99-47-8- PubChem CID
- 7437
- DTXSID
DTXSID10870438- Nikkaji
- J55.021C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 160 °C · 160°C (rough estimate)
- Density
- 1.4125 · 1.4125 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
苏州碳壹科技有限公司18606219109;18606219109 · [email protected]
Related reactions
6 records
Linked notes
Loading…