2-(2,3-dinitrophenyl)ethyl formate

C9H8N2O6 — CID 91803762

IUPAC2-(2,3-dinitrophenyl)ethyl formate
SMILESO=COCCc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O6/c12-6-17-5-4-7-2-1-3-8(10(13)14)9(7)11(15)16/h1-3,6H,4-5H2
InChIKeyGRYQNIFVSFBTCM-UHFFFAOYSA-N
MW240.17 g/mol
LogP1.22
Rot. Bonds6

About 2-(2,3-dinitrophenyl)ethyl formate

2-(2,3-dinitrophenyl)ethyl formate (PubChem CID 91803762) has the molecular formula C9H8N2O6 and a molecular weight of 240.17 g/mol. Its IUPAC name is 2-(2,3-dinitrophenyl)ethyl formate.

Molecular Properties

Compound Name2-(2,3-dinitrophenyl)ethyl formate
PubChem CID91803762
Molecular FormulaC9H8N2O6
Molecular Weight240.17 g/mol
Exact Mass240.04
IUPAC Name2-(2,3-dinitrophenyl)ethyl formate
SMILESO=COCCc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O6/c12-6-17-5-4-7-2-1-3-8(10(13)14)9(7)11(15)16/h1-3,6H,4-5H2
InChIKeyGRYQNIFVSFBTCM-UHFFFAOYSA-N
XLogP1.22
TPSA112.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dinitrophenyl)ethyl prop-2-enoate
CID 88709504
1,2-dinitro-3-(3-phenylpropyl)benzene
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2-(8-nitro-4-oxochromen-2-yl)ethyl formate
CID 174439681
(8-nitronaphthalen-1-yl)methyl formate
CID 89338889
2-(2-ethylphenyl)ethyl formate
CID 58551958
(2,3-dinitrophenyl)methanesulfonamide
CID 90109286
hydrazine;1,2,3-trinitrobenzene
CID 174855794
2-(2-cyanophenyl)ethyl formate
CID 87149714
(2,3-dinitrophenyl)methyl-triphenylphosphanium
CID 86092889
2-[4-(3-fluoro-4-nitrophenyl)-1H-pyrrol-3-yl]ethyl formate
CID 174524929
2-(2-nitrophenyl)-N-(2-prop-2-enoxyethyl)ethanamine
CID 114264712
N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine
CID 141443680

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dinitrophenyl)ethyl formate?
The IUPAC name of 2-(2,3-dinitrophenyl)ethyl formate (CID 91803762) is 2-(2,3-dinitrophenyl)ethyl formate.
What is the SMILES notation for 2-(2,3-dinitrophenyl)ethyl formate?
The canonical SMILES for 2-(2,3-dinitrophenyl)ethyl formate is O=COCCc1cccc([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2-(2,3-dinitrophenyl)ethyl formate?
The InChIKey is GRYQNIFVSFBTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O6/c12-6-17-5-4-7-2-1-3-8(10(13)14)9(7)11(15)16/h1-3,6H,4-5H2.
What are the key properties of 2-(2,3-dinitrophenyl)ethyl formate?
2-(2,3-dinitrophenyl)ethyl formate has a molecular weight of 240.17 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dinitrophenyl)ethyl formate is sourced from PubChem (CID 91803762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).