10H-phenoxazine-3,7-dicarbonyl chloride

C14H7Cl2NO3 — CID 152711123

IUPAC10H-phenoxazine-3,7-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)Oc1cc(C(=O)Cl)ccc1N2
InChIInChI=1S/C14H7Cl2NO3/c15-13(18)7-1-3-9-11(5-7)20-12-6-8(14(16)19)2-4-10(12)17-9/h1-6,17H
InChIKeyZTPRQPBEECWOSI-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.29
Rot. Bonds2

About 10H-phenoxazine-3,7-dicarbonyl chloride

10H-phenoxazine-3,7-dicarbonyl chloride (PubChem CID 152711123) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 10H-phenoxazine-3,7-dicarbonyl chloride.

Molecular Properties

Compound Name10H-phenoxazine-3,7-dicarbonyl chloride
PubChem CID152711123
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name10H-phenoxazine-3,7-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)Oc1cc(C(=O)Cl)ccc1N2
InChIInChI=1S/C14H7Cl2NO3/c15-13(18)7-1-3-9-11(5-7)20-12-6-8(14(16)19)2-4-10(12)17-9/h1-6,17H
InChIKeyZTPRQPBEECWOSI-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine-3,7-dicarbonyl chloride?
The IUPAC name of 10H-phenoxazine-3,7-dicarbonyl chloride (CID 152711123) is 10H-phenoxazine-3,7-dicarbonyl chloride.
What is the SMILES notation for 10H-phenoxazine-3,7-dicarbonyl chloride?
The canonical SMILES for 10H-phenoxazine-3,7-dicarbonyl chloride is O=C(Cl)c1ccc2c(c1)Oc1cc(C(=O)Cl)ccc1N2.
What is the InChIKey of 10H-phenoxazine-3,7-dicarbonyl chloride?
The InChIKey is ZTPRQPBEECWOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-13(18)7-1-3-9-11(5-7)20-12-6-8(14(16)19)2-4-10(12)17-9/h1-6,17H.
What are the key properties of 10H-phenoxazine-3,7-dicarbonyl chloride?
10H-phenoxazine-3,7-dicarbonyl chloride has a molecular weight of 308.12 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine-3,7-dicarbonyl chloride is sourced from PubChem (CID 152711123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).