O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine

C9H8ClNO2 — CID 117197472

IUPACO-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
SMILESNOCc1coc2c(Cl)cccc12
InChIInChI=1S/C9H8ClNO2/c10-8-3-1-2-7-6(5-13-11)4-12-9(7)8/h1-4H,5,11H2
InChIKeyZTKCTYASUKNBOM-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.48
Rot. Bonds2

About O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine

O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine (PubChem CID 117197472) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
PubChem CID117197472
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC NameO-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
SMILESNOCc1coc2c(Cl)cccc12
InChIInChI=1S/C9H8ClNO2/c10-8-3-1-2-7-6(5-13-11)4-12-9(7)8/h1-4H,5,11H2
InChIKeyZTKCTYASUKNBOM-UHFFFAOYSA-N
XLogP2.48
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124800
N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine
CID 81047320
3-(ethoxymethyl)-1-benzofuran-7-amine
CID 117181114
7-chloro-3-methyl-1-benzofuran
CID 67275578
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
CID 117186097
3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
CID 117181082
3-bromo-8-chlorochromen-4-one
CID 175669775

Frequently Asked Questions

What is the IUPAC name of O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine (CID 117197472) is O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine is NOCc1coc2c(Cl)cccc12.
What is the InChIKey of O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine?
The InChIKey is ZTKCTYASUKNBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-3-1-2-7-6(5-13-11)4-12-9(7)8/h1-4H,5,11H2.
What are the key properties of O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine?
O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine has a molecular weight of 197.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).