carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole

C11H8ClN3O2 — CID 176538051

IUPACcarbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole
SMILESClc1ccccc1C=Cc1cn[nH]n1.O=C=O
InChIInChI=1S/C10H8ClN3.CO2/c11-10-4-2-1-3-8(10)5-6-9-7-12-14-13-9;2-1-3/h1-7H,(H,12,13,14);
InChIKeyUNEXJEKZBIULRL-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.05
Rot. Bonds2

About carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole

carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole (PubChem CID 176538051) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole.

Molecular Properties

Compound Namecarbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole
PubChem CID176538051
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Namecarbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole
SMILESClc1ccccc1C=Cc1cn[nH]n1.O=C=O
InChIInChI=1S/C10H8ClN3.CO2/c11-10-4-2-1-3-8(10)5-6-9-7-12-14-13-9;2-1-3/h1-7H,(H,12,13,14);
InChIKeyUNEXJEKZBIULRL-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carbon dioxide;4-[(2-chlorophenyl)methylsulfanyl]-2H-triazole
CID 176535849
4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 70412416
carbon dioxide;4-[4-[2-(2H-triazol-4-yl)ethenyl]phenyl]benzonitrile
CID 176537603
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
2-(2-chlorophenyl)ethenamine
CID 154223845
1-chloro-2-(2-phosphorosoethenyl)benzene
CID 175046650
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 12700740
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
2-(2H-triazol-4-yl)benzaldehyde
CID 23332019
(E)-3-(2-chlorophenyl)prop-2-enenitrile;hydron
CID 174388548

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole?
The IUPAC name of carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole (CID 176538051) is carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole.
What is the SMILES notation for carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole?
The canonical SMILES for carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole is Clc1ccccc1C=Cc1cn[nH]n1.O=C=O.
What is the InChIKey of carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole?
The InChIKey is UNEXJEKZBIULRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3.CO2/c11-10-4-2-1-3-8(10)5-6-9-7-12-14-13-9;2-1-3/h1-7H,(H,12,13,14);.
What are the key properties of carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole?
carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole has a molecular weight of 249.66 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole is sourced from PubChem (CID 176538051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).