5-chloro-2-methyl-7-nitro-1-benzofuran

C9H6ClNO3 — CID 70200690

IUPAC5-chloro-2-methyl-7-nitro-1-benzofuran
SMILESCc1cc2cc(Cl)cc([N+](=O)[O-])c2o1
InChIInChI=1S/C9H6ClNO3/c1-5-2-6-3-7(10)4-8(11(12)13)9(6)14-5/h2-4H,1H3
InChIKeyCBZHNLKIGKOVHD-UHFFFAOYSA-N
MW211.60 g/mol
LogP3.30
Rot. Bonds1

About 5-chloro-2-methyl-7-nitro-1-benzofuran

5-chloro-2-methyl-7-nitro-1-benzofuran (PubChem CID 70200690) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 5-chloro-2-methyl-7-nitro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-methyl-7-nitro-1-benzofuran
PubChem CID70200690
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name5-chloro-2-methyl-7-nitro-1-benzofuran
SMILESCc1cc2cc(Cl)cc([N+](=O)[O-])c2o1
InChIInChI=1S/C9H6ClNO3/c1-5-2-6-3-7(10)4-8(11(12)13)9(6)14-5/h2-4H,1H3
InChIKeyCBZHNLKIGKOVHD-UHFFFAOYSA-N
XLogP3.30
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 53.30
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 5-chloro-2-methyl-7-nitro-1-benzofuran?
The IUPAC name of 5-chloro-2-methyl-7-nitro-1-benzofuran (CID 70200690) is 5-chloro-2-methyl-7-nitro-1-benzofuran.
What is the SMILES notation for 5-chloro-2-methyl-7-nitro-1-benzofuran?
The canonical SMILES for 5-chloro-2-methyl-7-nitro-1-benzofuran is Cc1cc2cc(Cl)cc([N+](=O)[O-])c2o1.
What is the InChIKey of 5-chloro-2-methyl-7-nitro-1-benzofuran?
The InChIKey is CBZHNLKIGKOVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-5-2-6-3-7(10)4-8(11(12)13)9(6)14-5/h2-4H,1H3.
What are the key properties of 5-chloro-2-methyl-7-nitro-1-benzofuran?
5-chloro-2-methyl-7-nitro-1-benzofuran has a molecular weight of 211.60 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-7-nitro-1-benzofuran is sourced from PubChem (CID 70200690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).