1-chloro-8-nitrobenzo[c]chromen-6-one

C13H6ClNO4 — CID 10956750

IUPAC1-chloro-8-nitrobenzo[c]chromen-6-one
SMILESO=c1oc2cccc(Cl)c2c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H6ClNO4/c14-10-2-1-3-11-12(10)8-5-4-7(15(17)18)6-9(8)13(16)19-11/h1-6H
InChIKeyUGEMAUUZXDDHRG-UHFFFAOYSA-N
MW275.65 g/mol
LogP3.51
Rot. Bonds1

About 1-chloro-8-nitrobenzo[c]chromen-6-one

1-chloro-8-nitrobenzo[c]chromen-6-one (PubChem CID 10956750) has the molecular formula C13H6ClNO4 and a molecular weight of 275.65 g/mol. Its IUPAC name is 1-chloro-8-nitrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-chloro-8-nitrobenzo[c]chromen-6-one
PubChem CID10956750
Molecular FormulaC13H6ClNO4
Molecular Weight275.65 g/mol
Exact Mass275.00
IUPAC Name1-chloro-8-nitrobenzo[c]chromen-6-one
SMILESO=c1oc2cccc(Cl)c2c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H6ClNO4/c14-10-2-1-3-11-12(10)8-5-4-7(15(17)18)6-9(8)13(16)19-11/h1-6H
InChIKeyUGEMAUUZXDDHRG-UHFFFAOYSA-N
XLogP3.51
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-nitrobenzo[c]chromen-6-one?
The IUPAC name of 1-chloro-8-nitrobenzo[c]chromen-6-one (CID 10956750) is 1-chloro-8-nitrobenzo[c]chromen-6-one.
What is the SMILES notation for 1-chloro-8-nitrobenzo[c]chromen-6-one?
The canonical SMILES for 1-chloro-8-nitrobenzo[c]chromen-6-one is O=c1oc2cccc(Cl)c2c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 1-chloro-8-nitrobenzo[c]chromen-6-one?
The InChIKey is UGEMAUUZXDDHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClNO4/c14-10-2-1-3-11-12(10)8-5-4-7(15(17)18)6-9(8)13(16)19-11/h1-6H.
What are the key properties of 1-chloro-8-nitrobenzo[c]chromen-6-one?
1-chloro-8-nitrobenzo[c]chromen-6-one has a molecular weight of 275.65 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-nitrobenzo[c]chromen-6-one is sourced from PubChem (CID 10956750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).