7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol

C13H6Cl3NO2 — CID 173447125

IUPAC7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccc(Cl)c(Cl)c3)noc2c1Cl
InChIInChI=1S/C13H6Cl3NO2/c14-8-3-1-6(5-9(8)15)12-7-2-4-10(18)11(16)13(7)19-17-12/h1-5,18H
InChIKeyFSCFEQCXEYTMFE-UHFFFAOYSA-N
MW314.56 g/mol
LogP5.16
Rot. Bonds1

About 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol

7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol (PubChem CID 173447125) has the molecular formula C13H6Cl3NO2 and a molecular weight of 314.56 g/mol. Its IUPAC name is 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol
PubChem CID173447125
Molecular FormulaC13H6Cl3NO2
Molecular Weight314.56 g/mol
Exact Mass312.95
IUPAC Name7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccc(Cl)c(Cl)c3)noc2c1Cl
InChIInChI=1S/C13H6Cl3NO2/c14-8-3-1-6(5-9(8)15)12-7-2-4-10(18)11(16)13(7)19-17-12/h1-5,18H
InChIKeyFSCFEQCXEYTMFE-UHFFFAOYSA-N
XLogP5.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol (CID 173447125) is 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol is Oc1ccc2c(-c3ccc(Cl)c(Cl)c3)noc2c1Cl.
What is the InChIKey of 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol?
The InChIKey is FSCFEQCXEYTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3NO2/c14-8-3-1-6(5-9(8)15)12-7-2-4-10(18)11(16)13(7)19-17-12/h1-5,18H.
What are the key properties of 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol?
7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol has a molecular weight of 314.56 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 173447125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).