1-(4-Nitrophenoxy)propan-2-one
Plain text
Chemfused. (2026). 1-(4-Nitrophenoxy)propan-2-one, CAS 6698-72-2. Retrieved 2026-04-28 from https://chemfused.com/cas/6698-72-2
BibTeX
@misc{chemfused-cas-6698722,
title = {1-(4-Nitrophenoxy)propan-2-one, CAS 6698-72-2},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/6698-72-2},
urldate = {2026-04-28}
}
1-(4-Nitrophenoxy)propan-2-one (CAS 6698-72-2) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.17 g/mol .
What is 1-(4-Nitrophenoxy)propan-2-one?
- Molecular Formula
- C9H9NO4
- Molecular Weight
- 195.17 g/mol
Structure Identifiers
- SMILES
- CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C9H9NO4/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5H,6H2,1H3
- InChIKey
- BTPOVNGEGQQHIV-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 195.0532 Da
- XLogP
- 0.90
- TPSA
- 72.1 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 4
- Complexity
- 215
- Formal Charge
- 0
Safety information
No safety data available for this chemical.
Synonyms (21)
- AB12119
- AT10525
- 6698-72-2
- NSC210318
- STL387744
- NSC 210318
- NSC-210318
- AKOS000368877
- CHEMBL3249560
- DTXSID60308872
- SCHEMBL6602827
- 4-nitrophenoxyacetone
- p-nitrophenoxyacetone
- p-nitrophenoxy acetone
- Lemborexant Impurity 46
- BTPOVNGEGQQHIV-UHFFFAOYSA-N
- 4-[2-oxo-propoxy]nitrobenzene
- 1-(4-NITROPHENOXY)-2-PROPANONE
- 1-(4-nitrophenoxy)propan-2-one
- 1-(4-NITRO-PHENOXY)-PROPAN-2-ONE
- 1-[(4-nitrophenyl)oxy]propan-2-one
Frequently asked questions
What is the CAS number of 1-(4-Nitrophenoxy)propan-2-one?
The CAS Registry Number for 1-(4-Nitrophenoxy)propan-2-one is 6698-72-2.
What is the molecular formula of 1-(4-Nitrophenoxy)propan-2-one?
1-(4-Nitrophenoxy)propan-2-one has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol.
What is the SMILES notation for 1-(4-Nitrophenoxy)propan-2-one?
The SMILES notation for 1-(4-Nitrophenoxy)propan-2-one is CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-].
What are other names for 1-(4-Nitrophenoxy)propan-2-one?
1-(4-Nitrophenoxy)propan-2-one is also known as 1-(4-NITRO-PHENOXY)-PROPAN-2-ONE, 1-(4-NITROPHENOXY)-2-PROPANONE, 1-(4-nitrophenoxy)propan-2-one, 1-[(4-nitrophenyl)oxy]propan-2-one, 4-[2-oxo-propoxy]nitrobenzene.
Data sourced from PubChem CID 308507. Last updated .
Request a Quote
Submit an enquiry for CAS 6698-72-2 and we'll connect you with suppliers.