6-chloro-3-nitro-2H-chromene

C9H6ClNO3 — CID 13266318

IUPAC6-chloro-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C9H6ClNO3/c10-7-1-2-9-6(3-7)4-8(5-14-9)11(12)13/h1-4H,5H2
InChIKeyNXQCGNFXEWOTSE-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.35
Rot. Bonds1

About 6-chloro-3-nitro-2H-chromene

6-chloro-3-nitro-2H-chromene (PubChem CID 13266318) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 6-chloro-3-nitro-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-nitro-2H-chromene
PubChem CID13266318
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name6-chloro-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C9H6ClNO3/c10-7-1-2-9-6(3-7)4-8(5-14-9)11(12)13/h1-4H,5H2
InChIKeyNXQCGNFXEWOTSE-UHFFFAOYSA-N
XLogP2.35
TPSA52.37 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 ≤ 52.35
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 6-chloro-3-nitro-2H-chromene?
The IUPAC name of 6-chloro-3-nitro-2H-chromene (CID 13266318) is 6-chloro-3-nitro-2H-chromene.
What is the SMILES notation for 6-chloro-3-nitro-2H-chromene?
The canonical SMILES for 6-chloro-3-nitro-2H-chromene is O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-3-nitro-2H-chromene?
The InChIKey is NXQCGNFXEWOTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-7-1-2-9-6(3-7)4-8(5-14-9)11(12)13/h1-4H,5H2.
What are the key properties of 6-chloro-3-nitro-2H-chromene?
6-chloro-3-nitro-2H-chromene has a molecular weight of 211.60 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2H-chromene is sourced from PubChem (CID 13266318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).