6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole

C14H9Cl2N3O3 — CID 27070472

IUPAC6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole
SMILESClc1ccc2nnn(OCc3cc(Cl)c4c(c3)OCO4)c2c1
InChIInChI=1S/C14H9Cl2N3O3/c15-9-1-2-11-12(5-9)19(18-17-11)22-6-8-3-10(16)14-13(4-8)20-7-21-14/h1-5H,6-7H2
InChIKeyWJELNTMGDKQFDK-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.10
Rot. Bonds3

About 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole

6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole (PubChem CID 27070472) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole.

Molecular Properties

Compound Name6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole
PubChem CID27070472
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole
SMILESClc1ccc2nnn(OCc3cc(Cl)c4c(c3)OCO4)c2c1
InChIInChI=1S/C14H9Cl2N3O3/c15-9-1-2-11-12(5-9)19(18-17-11)22-6-8-3-10(16)14-13(4-8)20-7-21-14/h1-5H,6-7H2
InChIKeyWJELNTMGDKQFDK-UHFFFAOYSA-N
XLogP3.10
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 7696724
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]benzonitrile
CID 7686868
6-chloro-1-(3-methoxypropoxy)benzotriazole
CID 75522050
2-bromo-5-chloro-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]aniline
CID 81264046
2-bromo-4-chloro-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]aniline
CID 81264393
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 62539077
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 24557812
5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid
CID 63850150
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-naphthalen-1-ylacetate
CID 18267753
(2R)-2-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]propanoic acid
CID 104875465
4-chloro-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-fluoroaniline
CID 43721490
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]thiophen-3-amine
CID 66351906

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole?
The IUPAC name of 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole (CID 27070472) is 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole.
What is the SMILES notation for 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole?
The canonical SMILES for 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole is Clc1ccc2nnn(OCc3cc(Cl)c4c(c3)OCO4)c2c1.
What is the InChIKey of 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole?
The InChIKey is WJELNTMGDKQFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-9-1-2-11-12(5-9)19(18-17-11)22-6-8-3-10(16)14-13(4-8)20-7-21-14/h1-5H,6-7H2.
What are the key properties of 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole?
6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole has a molecular weight of 338.15 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole is sourced from PubChem (CID 27070472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).