carbonyl dichloride;1H-indazole

C8H6Cl2N2O — CID 158934789

IUPACcarbonyl dichloride;1H-indazole
SMILESO=C(Cl)Cl.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CCl2O/c1-2-4-7-6(3-1)5-8-9-7;2-1(3)4/h1-5H,(H,8,9);
InChIKeyJJMYSPLONUBAEP-UHFFFAOYSA-N
MW217.06 g/mol
LogP3.15
Rot. Bonds

About carbonyl dichloride;1H-indazole

carbonyl dichloride;1H-indazole (PubChem CID 158934789) has the molecular formula C8H6Cl2N2O and a molecular weight of 217.06 g/mol. Its IUPAC name is carbonyl dichloride;1H-indazole.

Molecular Properties

Compound Namecarbonyl dichloride;1H-indazole
PubChem CID158934789
Molecular FormulaC8H6Cl2N2O
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Namecarbonyl dichloride;1H-indazole
SMILESO=C(Cl)Cl.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CCl2O/c1-2-4-7-6(3-1)5-8-9-7;2-1(3)4/h1-5H,(H,8,9);
InChIKeyJJMYSPLONUBAEP-UHFFFAOYSA-N
XLogP3.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1H-indazole;thiocarbonyl dichloride
CID 131733696
1H-indazole;ruthenium(3+)
CID 158942897
1H-indazole;hydrate;hydrochloride
CID 140981891
sodium;bis(1H-indazole);tetrachlororuthenium(1-)
CID 25134754
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
CID 142869104
CID 142869104
2-aminopropanoic acid;1H-indazole
CID 175055446
1H-indazole;sulfonylurea
CID 158433470
1H-indazole;methylsulfinylmethane;osmium;tetrachloride
CID 25015525
1H-indazole;propan-2-yl acetate
CID 90269104
1H-indazole;methyl formate
CID 174916926
2H-benzotriazole;1H-indazole
CID 67829354

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;1H-indazole?
The IUPAC name of carbonyl dichloride;1H-indazole (CID 158934789) is carbonyl dichloride;1H-indazole.
What is the SMILES notation for carbonyl dichloride;1H-indazole?
The canonical SMILES for carbonyl dichloride;1H-indazole is O=C(Cl)Cl.c1ccc2[nH]ncc2c1.
What is the InChIKey of carbonyl dichloride;1H-indazole?
The InChIKey is JJMYSPLONUBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CCl2O/c1-2-4-7-6(3-1)5-8-9-7;2-1(3)4/h1-5H,(H,8,9);.
What are the key properties of carbonyl dichloride;1H-indazole?
carbonyl dichloride;1H-indazole has a molecular weight of 217.06 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;1H-indazole is sourced from PubChem (CID 158934789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).