1,2,4-trichlorophenoxazin-3-one

C12H4Cl3NO2 — CID 56606166

IUPAC1,2,4-trichlorophenoxazin-3-one
SMILESO=c1c(Cl)c2oc3ccccc3nc-2c(Cl)c1Cl
InChIInChI=1S/C12H4Cl3NO2/c13-7-8(14)11(17)9(15)12-10(7)16-5-3-1-2-4-6(5)18-12/h1-4H
InChIKeyWCQBLKRHAKMGTD-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.25
Rot. Bonds

About 1,2,4-trichlorophenoxazin-3-one

1,2,4-trichlorophenoxazin-3-one (PubChem CID 56606166) has the molecular formula C12H4Cl3NO2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1,2,4-trichlorophenoxazin-3-one.

Molecular Properties

Compound Name1,2,4-trichlorophenoxazin-3-one
PubChem CID56606166
Molecular FormulaC12H4Cl3NO2
Molecular Weight300.53 g/mol
Exact Mass298.93
IUPAC Name1,2,4-trichlorophenoxazin-3-one
SMILESO=c1c(Cl)c2oc3ccccc3nc-2c(Cl)c1Cl
InChIInChI=1S/C12H4Cl3NO2/c13-7-8(14)11(17)9(15)12-10(7)16-5-3-1-2-4-6(5)18-12/h1-4H
InChIKeyWCQBLKRHAKMGTD-UHFFFAOYSA-N
XLogP4.25
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-chloropyrazino[2,3-a]phenoxazin-5-one
CID 141389600
CID 23443898
CID 23443898
6-chloropyrido[3,2-a]phenoxazin-5-one
CID 141389603
6-bromobenzo[a]phenoxazin-5-one
CID 12933237
3-(4-bromophenyl)-1,4-benzoxazin-2-one
CID 72696232
3-(furan-2-yl)-1,4-benzoxazin-2-one
CID 164680158
9-[bis(2-methoxyethyl)amino]-6-chlorobenzo[a]phenoxazin-5-one
CID 18730942
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
benzo[d][1,3,7]benzodioxazonin-6-one
CID 42644773
3-ethyl-1,4-benzoxazin-2-one
CID 86094198
3-(4-nitrophenyl)-1,4-benzoxazin-2-one
CID 139215522

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichlorophenoxazin-3-one?
The IUPAC name of 1,2,4-trichlorophenoxazin-3-one (CID 56606166) is 1,2,4-trichlorophenoxazin-3-one.
What is the SMILES notation for 1,2,4-trichlorophenoxazin-3-one?
The canonical SMILES for 1,2,4-trichlorophenoxazin-3-one is O=c1c(Cl)c2oc3ccccc3nc-2c(Cl)c1Cl.
What is the InChIKey of 1,2,4-trichlorophenoxazin-3-one?
The InChIKey is WCQBLKRHAKMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3NO2/c13-7-8(14)11(17)9(15)12-10(7)16-5-3-1-2-4-6(5)18-12/h1-4H.
What are the key properties of 1,2,4-trichlorophenoxazin-3-one?
1,2,4-trichlorophenoxazin-3-one has a molecular weight of 300.53 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichlorophenoxazin-3-one is sourced from PubChem (CID 56606166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).