2-(benzotriazol-2-yl)-4,5-dichlorophenol

C12H7Cl2N3O — CID 18466269

IUPAC2-(benzotriazol-2-yl)-4,5-dichlorophenol
SMILESOc1cc(Cl)c(Cl)cc1-n1nc2ccccc2n1
InChIInChI=1S/C12H7Cl2N3O/c13-7-5-11(12(18)6-8(7)14)17-15-9-3-1-2-4-10(9)16-17/h1-6,18H
InChIKeyXTARNDCHFFABBE-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.43
Rot. Bonds1

About 2-(benzotriazol-2-yl)-4,5-dichlorophenol

2-(benzotriazol-2-yl)-4,5-dichlorophenol (PubChem CID 18466269) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,5-dichlorophenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,5-dichlorophenol
PubChem CID18466269
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name2-(benzotriazol-2-yl)-4,5-dichlorophenol
SMILESOc1cc(Cl)c(Cl)cc1-n1nc2ccccc2n1
InChIInChI=1S/C12H7Cl2N3O/c13-7-5-11(12(18)6-8(7)14)17-15-9-3-1-2-4-10(9)16-17/h1-6,18H
InChIKeyXTARNDCHFFABBE-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-Dichlorobenzotriazol-2-yl)phenol
CID 127035088
2-(2H-Benzotriazole-2-yl)phenol
CID 10198220
2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-phenol
CID 13130203
4-(5-Chloro-2H-benzotriazol-2YL)-1,3-benzenediol
CID 11219193
2-(5-Chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672846
2-(5-Chlorobenzotriazol-2-yl)-6-methylphenol
CID 13580815
2-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)phenol
CID 13580836
4-(5-Chlorobenzotriazol-2-yl)phenol
CID 13953252
2-(5-Chlorobenzotriazol-2-yl)benzene-1,3,5-triol
CID 18428764
4-(4,5-Dichlorobenzotriazol-2-yl)benzene-1,3-diol
CID 18428770
2-(5,6-Dichlorobenzotriazol-2-yl)-4-methoxyphenol
CID 18466278
5-Amino-2-(5-chlorobenzotriazol-2-yl)phenol
CID 18668107

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,5-dichlorophenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,5-dichlorophenol (CID 18466269) is 2-(benzotriazol-2-yl)-4,5-dichlorophenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,5-dichlorophenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,5-dichlorophenol is Oc1cc(Cl)c(Cl)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,5-dichlorophenol?
The InChIKey is XTARNDCHFFABBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-7-5-11(12(18)6-8(7)14)17-15-9-3-1-2-4-10(9)16-17/h1-6,18H.
What are the key properties of 2-(benzotriazol-2-yl)-4,5-dichlorophenol?
2-(benzotriazol-2-yl)-4,5-dichlorophenol has a molecular weight of 280.11 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,5-dichlorophenol is sourced from PubChem (CID 18466269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).