1-chloro-4-methoxy-2-nitrobenzene

C7H6ClNO3 — CID 25140

IUPAC1-chloro-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKeyHISHUMDTGXICEZ-UHFFFAOYSA-N
MW187.58 g/mol
LogP2.26
Rot. Bonds2

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

1-chloro-4-methoxy-2-nitrobenzene (PubChem CID 25140) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-nitrobenzene
PubChem CID25140
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name1-chloro-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKeyHISHUMDTGXICEZ-UHFFFAOYSA-N
XLogP2.26
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 52.26
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-4-methoxy-2-nitrobenzene?
The IUPAC name of 1-chloro-4-methoxy-2-nitrobenzene (CID 25140) is 1-chloro-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1-chloro-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1-chloro-4-methoxy-2-nitrobenzene is COc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-chloro-4-methoxy-2-nitrobenzene?
The InChIKey is HISHUMDTGXICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3.
What are the key properties of 1-chloro-4-methoxy-2-nitrobenzene?
1-chloro-4-methoxy-2-nitrobenzene has a molecular weight of 187.58 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 25140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).