Basic information
- CAS
175136-24-0- Standard SMILES
CC(=O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1- InChIKey
XMYCVHFGYFJOJX-UHFFFAOYSA-N- Molecular formula
- C15H12FNO4
- Average molar mass
- 289.26 g/mol
- Monoisotopic mass
- 289.07503603
Names & identifiers
- Preferred name
- 1-(4-((4-Fluorobenzyl)oxy)-3-nitrophenyl)ethanone
- IUPAC
- 1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
- English name
- 4-(4-Fluorobenzyloxy)-3-nitroacetophenone
- Molecular formula
- C15H12FNO4
- Molecular weight
- 289.26
Names & synonyms
175136-24-01-(4-((4-Fluorobenzyl)oxy)-3-nitrophenyl)ethanone4'-(4-Fluorobenzyloxy)-3'-nitroacetophenone1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone1-{4-[(4-Fluorobenzyl)oxy]-3-nitrophenyl}-1-ethanone1-{4-[(4-fluorophenyl)methoxy]-3-nitrophenyl}ethan-1-oneMFCD001738721-(4-((4-Fluorobenzyl)oxy)-3-nitrophenyl)ethan-1-oneEthanone, 1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]-1-{4-[(4-fluorophenyl)methoxy]-3-nitrophenyl}ethanoneMaybridge1_002202HMS547M02
Show more names
4'-(4-Fluorobenzyloxy)-3'4-(4-Fluorobenzyloxy)-3-nitroacetophenone4'-(4-FLUOROBENZYLOXY)-3-NITROACETOPHENONE4'-(4-Fluorobenzyloxy)-3'-nitroacetophenone95%4'-(4-Fluorobenzyloxy)-3'-nitroacetophenone 95%1-[4-[(4-FLUOROBENZYL)OXY]-3-NITROPHENYL]ETHAN-1-ONE
DTXSID60371965JS-116CAKOS005073017DB-044030CS-0357780H533611-[4-[(4-fluorophenyl)methoxy]-3-nitro-phenyl]ethanone4 inverted exclamation marka-(4-Fluorobenzyloxy)-3 inverted exclamation marka-nitroacetophenone
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 105 · 105-107°C
- Boiling point
- 430.7 · 430.7±35.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 175136 · 175136-24-0(CAS DataBase Reference)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety data
- hs_code
- 2914790090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers12 total
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aladdin Scientific[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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