7-bromo-2-(chloromethyl)-1-benzofuran

C9H6BrClO — CID 103027295

IUPAC7-bromo-2-(chloromethyl)-1-benzofuran
SMILESClCc1cc2cccc(Br)c2o1
InChIInChI=1S/C9H6BrClO/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H,5H2
InChIKeyUGLBWEPPTYWHPR-UHFFFAOYSA-N
MW245.50 g/mol
LogP3.93
Rot. Bonds1

About 7-bromo-2-(chloromethyl)-1-benzofuran

7-bromo-2-(chloromethyl)-1-benzofuran (PubChem CID 103027295) has the molecular formula C9H6BrClO and a molecular weight of 245.50 g/mol. Its IUPAC name is 7-bromo-2-(chloromethyl)-1-benzofuran.

Molecular Properties

Compound Name7-bromo-2-(chloromethyl)-1-benzofuran
PubChem CID103027295
Molecular FormulaC9H6BrClO
Molecular Weight245.50 g/mol
Exact Mass243.93
IUPAC Name7-bromo-2-(chloromethyl)-1-benzofuran
SMILESClCc1cc2cccc(Br)c2o1
InChIInChI=1S/C9H6BrClO/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H,5H2
InChIKeyUGLBWEPPTYWHPR-UHFFFAOYSA-N
XLogP3.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2-(bromomethyl)-1-benzofuran
CID 103818929
(7-bromo-1-benzofuran-2-yl)methanamine
CID 61389824
1-[(7-bromo-1-benzofuran-2-yl)methyl]azepane
CID 117182734
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
2-N-[(7-bromo-1-benzofuran-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103110012
2-(2-chloroethyl)-7-methyl-1-benzofuran
CID 114732789
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(chloromethyl)-1-benzofuran?
The IUPAC name of 7-bromo-2-(chloromethyl)-1-benzofuran (CID 103027295) is 7-bromo-2-(chloromethyl)-1-benzofuran.
What is the SMILES notation for 7-bromo-2-(chloromethyl)-1-benzofuran?
The canonical SMILES for 7-bromo-2-(chloromethyl)-1-benzofuran is ClCc1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-(chloromethyl)-1-benzofuran?
The InChIKey is UGLBWEPPTYWHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H,5H2.
What are the key properties of 7-bromo-2-(chloromethyl)-1-benzofuran?
7-bromo-2-(chloromethyl)-1-benzofuran has a molecular weight of 245.50 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(chloromethyl)-1-benzofuran is sourced from PubChem (CID 103027295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).