CID 67560361

C6H4BCl2O — CID 67560361

IUPAC—
SMILESO[B]c1c(Cl)cccc1Cl
InChIInChI=1S/C6H4BCl2O/c8-4-2-1-3-5(9)6(4)7-10/h1-3,10H
InChIKeyPRGCJPOKQOMBPW-UHFFFAOYSA-N
MW173.82 g/mol
LogP1.23
Rot. Bonds1

About CID 67560361

CID 67560361 (PubChem CID 67560361) has the molecular formula C6H4BCl2O and a molecular weight of 173.82 g/mol.

Molecular Properties

Compound NameCID 67560361
PubChem CID67560361
Molecular FormulaC6H4BCl2O
Molecular Weight173.82 g/mol
Exact Mass172.97
IUPAC Name—
SMILESO[B]c1c(Cl)cccc1Cl
InChIInChI=1S/C6H4BCl2O/c8-4-2-1-3-5(9)6(4)7-10/h1-3,10H
InChIKeyPRGCJPOKQOMBPW-UHFFFAOYSA-N
XLogP1.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.82
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
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CID 2734332
azane;1,2-dichlorobenzene
CID 70584322
potassium;2,3-dichlorophenol;hydride
CID 174676852
2-amino-3-chlorophenol
CID 19828962
bis(2-chlorophenol);tungsten
CID 88625581
(2-chlorophenyl)chloranium
CID 147782481
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
1-(2,6-dichlorophenyl)ethane-1,1-diol
CID 145115898
CID 70262104
CID 70262104

Frequently Asked Questions

What is the IUPAC name of CID 67560361?
The IUPAC name of CID 67560361 (CID 67560361) is not available.
What is the SMILES notation for CID 67560361?
The canonical SMILES for CID 67560361 is O[B]c1c(Cl)cccc1Cl.
What is the InChIKey of CID 67560361?
The InChIKey is PRGCJPOKQOMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BCl2O/c8-4-2-1-3-5(9)6(4)7-10/h1-3,10H.
What are the key properties of CID 67560361?
CID 67560361 has a molecular weight of 173.82 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67560361 is sourced from PubChem (CID 67560361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).