Aniline, 2-isopropoxy-5-nitro-
Basic information
- CAS
53965-13-2- Standard SMILES
CC(C)Oc1ccc([N+](=O)[O-])cc1N- InChIKey
NIHHCJZYYQHCHJ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- Aniline, 2-isopropoxy-5-nitro-
- IUPAC
- 5-nitro-2-propan-2-yloxyaniline
- English name
- 2-Isopropoxy-5-nitroaniline
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
53965-13-2ANILINE, 2-ISOPROPOXY-5-NITRO-DTXSID30202252RefChem:1077001DTXCID301247432-Isopropoxy-5-nitroanilineBRN 32836305-nitro-2-propan-2-yloxyanilineBenzenamide, 2-(1-methylethoxy)-5-nitro-1-Isopropoxy-2-amino-4-nitrobenzol [German]1-Isopropoxy-2-amino-4-nitrobenzol1-Oxy-2-amino-4-nitrobenzol isopropyl aether [German]
Show more names
1-Oxy-2-amino-4-nitrobenzol isopropyl aetherCHEMBL108217Isopropoxy-2-amino-4-nitrobenzol2-(methylethoxy)-5-nitrophenylamineSBB091993AKOS0117967565-Nitro-2-[(propan-2-yl)oxy]anilineAE-562/12222149
Database identifiers
- CAS
53965-13-2- PubChem CID
- 40953
- DTXSID
DTXSID30202252- ChEMBL
CHEMBL108217- Nikkaji
- J60.431C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…