1-chloro-5-fluoro-2-methoxy-4-nitrobenzene

C7H5ClFNO3 — CID 2779295

IUPAC1-chloro-5-fluoro-2-methoxy-4-nitrobenzene
SMILESCOc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3
InChIKeyCRONHBXGPYQWHX-UHFFFAOYSA-N
MW205.57 g/mol
LogP2.40
Rot. Bonds2

About 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene

1-chloro-5-fluoro-2-methoxy-4-nitrobenzene (PubChem CID 2779295) has the molecular formula C7H5ClFNO3 and a molecular weight of 205.57 g/mol. Its IUPAC name is 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-2-methoxy-4-nitrobenzene
PubChem CID2779295
Molecular FormulaC7H5ClFNO3
Molecular Weight205.57 g/mol
Exact Mass204.99
IUPAC Name1-chloro-5-fluoro-2-methoxy-4-nitrobenzene
SMILESCOc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3
InChIKeyCRONHBXGPYQWHX-UHFFFAOYSA-N
XLogP2.40
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene?
The IUPAC name of 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene (CID 2779295) is 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene.
What is the SMILES notation for 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene?
The canonical SMILES for 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene is COc1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene?
The InChIKey is CRONHBXGPYQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3.
What are the key properties of 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene?
1-chloro-5-fluoro-2-methoxy-4-nitrobenzene has a molecular weight of 205.57 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene is sourced from PubChem (CID 2779295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).