2-(2-chloro-5-nitrophenoxy)acetaldehyde

C8H6ClNO4 — CID 63990784

IUPAC2-(2-chloro-5-nitrophenoxy)acetaldehyde
SMILESO=CCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H6ClNO4/c9-7-2-1-6(10(12)13)5-8(7)14-4-3-11/h1-3,5H,4H2
InChIKeyCGQSLLQBQUCIMV-UHFFFAOYSA-N
MW215.59 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-chloro-5-nitrophenoxy)acetaldehyde

2-(2-chloro-5-nitrophenoxy)acetaldehyde (PubChem CID 63990784) has the molecular formula C8H6ClNO4 and a molecular weight of 215.59 g/mol. Its IUPAC name is 2-(2-chloro-5-nitrophenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-5-nitrophenoxy)acetaldehyde
PubChem CID63990784
Molecular FormulaC8H6ClNO4
Molecular Weight215.59 g/mol
Exact Mass215.00
IUPAC Name2-(2-chloro-5-nitrophenoxy)acetaldehyde
SMILESO=CCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H6ClNO4/c9-7-2-1-6(10(12)13)5-8(7)14-4-3-11/h1-3,5H,4H2
InChIKeyCGQSLLQBQUCIMV-UHFFFAOYSA-N
XLogP1.83
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.59
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
methyl 4-(2-chloro-5-nitrophenoxy)-2-methylbut-2-enoate
CID 77075005
2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
CID 63990575
2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
1-chloro-4-nitro-2-(4,4,4-trifluorobutoxy)benzene
CID 115519762
1-chloro-2-[3-(2-methoxyethoxy)propoxy]-4-nitrobenzene
CID 103415777
2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
CID 79764621
1-(2-chloro-5-nitrophenoxy)pentan-2-one
CID 63990783
2-[(2-bromophenyl)methoxy]-1-chloro-4-nitrobenzene
CID 63990985
potassium (2-chloro-5-nitrophenyl) sulfite
CID 175273368
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
3-[(2-chloro-5-nitrophenoxy)methyl]aniline
CID 114308462

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-nitrophenoxy)acetaldehyde?
The IUPAC name of 2-(2-chloro-5-nitrophenoxy)acetaldehyde (CID 63990784) is 2-(2-chloro-5-nitrophenoxy)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-5-nitrophenoxy)acetaldehyde?
The canonical SMILES for 2-(2-chloro-5-nitrophenoxy)acetaldehyde is O=CCOc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-nitrophenoxy)acetaldehyde?
The InChIKey is CGQSLLQBQUCIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO4/c9-7-2-1-6(10(12)13)5-8(7)14-4-3-11/h1-3,5H,4H2.
What are the key properties of 2-(2-chloro-5-nitrophenoxy)acetaldehyde?
2-(2-chloro-5-nitrophenoxy)acetaldehyde has a molecular weight of 215.59 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-nitrophenoxy)acetaldehyde is sourced from PubChem (CID 63990784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).