5,6-dichloro-2-(4-methoxyphenyl)benzotriazole

C13H9Cl2N3O — CID 127035173

IUPAC5,6-dichloro-2-(4-methoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C13H9Cl2N3O/c1-19-9-4-2-8(3-5-9)18-16-12-6-10(14)11(15)7-13(12)17-18/h2-7H,1H3
InChIKeyHUGBAKGPIOAGJO-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.74
Rot. Bonds2

About 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole

5,6-dichloro-2-(4-methoxyphenyl)benzotriazole (PubChem CID 127035173) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methoxyphenyl)benzotriazole
PubChem CID127035173
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name5,6-dichloro-2-(4-methoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C13H9Cl2N3O/c1-19-9-4-2-8(3-5-9)18-16-12-6-10(14)11(15)7-13(12)17-18/h2-7H,1H3
InChIKeyHUGBAKGPIOAGJO-UHFFFAOYSA-N
XLogP3.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 741095
2-(4-Methoxyphenyl)benzotriazole
CID 658624
3-[4-(5-Chlorobenzotriazol-2-yl)phenoxy]-2,2-dimethyl-propanoic acid
CID 127035012
4-(5,6-Dichlorobenzotriazol-2-yl)phenol
CID 127035088
5,6-Dichloro-2-[(4-methoxyphenyl)methyl]benzotriazole
CID 127035179
Cambridge id 7004322
CID 803079
2-(4-Methoxyphenyl)-1-oxidobenzotriazol-1-ium
CID 13923619
5-Chloro-2-(2,4-dimethoxyphenyl)benzotriazole
CID 13953250
4-(5-Chlorobenzotriazol-2-yl)phenol
CID 13953252
2-(5-Chlorobenzotriazol-2-yl)-5-methoxyphenol
CID 13953253
2-(5,6-Dichlorobenzotriazol-2-yl)-4-methoxyphenol
CID 18466278
5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole
CID 19019580

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole?
The IUPAC name of 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole (CID 127035173) is 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole.
What is the SMILES notation for 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole?
The canonical SMILES for 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole is COc1ccc(-n2nc3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole?
The InChIKey is HUGBAKGPIOAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c1-19-9-4-2-8(3-5-9)18-16-12-6-10(14)11(15)7-13(12)17-18/h2-7H,1H3.
What are the key properties of 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole?
5,6-dichloro-2-(4-methoxyphenyl)benzotriazole has a molecular weight of 294.14 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methoxyphenyl)benzotriazole is sourced from PubChem (CID 127035173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).