Basic information
- CAS
68527-46-8- Standard SMILES
CC(=O)OCCc1cccc([N+](=O)[O-])c1- InChIKey
DHCRSUDNZBCHMQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- m-Nitrophenethyl acetate
- IUPAC
- 2-(3-nitrophenyl)ethyl acetate
- English name
- m-nitrophenethyl acetate
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.19864
Names & synonyms
m-Nitrophenethyl acetateBenzeneethanol, 3-nitro-, acetate (ester)Benzeneethanol, 3-nitro-, 1-acetate5MKT2S865HDTXSID7071600RefChem:154882DTXCID5046069271-268-6DHCRSUDNZBCHMQ-UHFFFAOYSA-N68527-46-83-nitrophenethyl acetate2-(3-nitrophenyl)ethyl acetate
Show more names
Acetic acid 2-(3-nitrophenyl)ethyl ester
m-Nitrophenethyl alcohol acetateEINECS 271-268-6UNII-5MKT2S865HSCHEMBL4688326acetic acid 2-(3-nitro-phenyl)-ethyl esterNS00036631
Database identifiers
- CAS
68527-46-8- PubChem CID
- 110451
- DTXSID
DTXSID7071600- UNII
- 5MKT2S865H
- EC Number
- 271-268-6
- Nikkaji
- J309.151A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- FDA UNII
- 5 MKT2S865H · 5MKT2S865H
- EPA Substance Registry System
- 3 · Benzeneethanol, 3-nitro-, acetate (ester) (68527-46-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, 3-nitro-, 1-acetate: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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