Phenol, 2-ethyl-4-nitro-

HCID 214742

Notes Reactions

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Basic information

CAS: 34105-70-9
Standard SMILES: CCc1cc([N+](=O)[O-])ccc1O
InChIKey: YKTXVKQLETVLJG-UHFFFAOYSA-N
Molecular formula: C8H9NO3
Average molar mass: 167.16 g/mol
Monoisotopic mass: 167.05824315

Names & identifiers

Preferred name: Phenol, 2-ethyl-4-nitro-
IUPAC: 2-ethyl-4-nitrophenol

Names & synonyms

2-Ethyl-4-nitrophenolPhenol, 2-ethyl-4-nitro-BRN 2555533DTXSID201877013-06-00-01659 (Beilstein Handbook Reference)RefChem:369036DTXCID4011019234105-70-9ethyl p-nitrophenol2-ethyl-4-nitro-phenolSCHEMBL4231830SCHEMBL27705901

Show more names

YKTXVKQLETVLJG-UHFFFAOYSA-N

Database identifiers

CAS: 34105-70-9
PubChem CID: 214742
DTXSID: DTXSID20187701
Nikkaji: J1.203.197A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 166

Related reactions

2 records

New reaction record

HRID 307833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1393084As reactantuspto-grants-2008_03

Compound notes

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