O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine

C9H10ClNO3 — CID 117307236

IUPACO-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
SMILESNOCc1cc2c(cc1Cl)COCO2
InChIInChI=1S/C9H10ClNO3/c10-8-1-7-3-12-5-13-9(7)2-6(8)4-14-11/h1-2H,3-5,11H2
InChIKeyGXIYTLNIJKXAQI-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.60
Rot. Bonds2

About O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine

O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine (PubChem CID 117307236) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
PubChem CID117307236
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC NameO-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
SMILESNOCc1cc2c(cc1Cl)COCO2
InChIInChI=1S/C9H10ClNO3/c10-8-1-7-3-12-5-13-9(7)2-6(8)4-14-11/h1-2H,3-5,11H2
InChIKeyGXIYTLNIJKXAQI-UHFFFAOYSA-N
XLogP1.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
O-[(7-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
CID 117397786
O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117323140
2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117358844
2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
CID 117301446
3-amino-2-(6-chloro-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117397486
3-(6-chloro-4H-1,3-benzodioxin-7-yl)-3-methylbutanoic acid
CID 117429709
2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine
CID 117387272
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
O-[(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117331328
1-(6-chloro-4H-1,3-benzodioxin-7-yl)cyclobutane-1-carboxylic acid
CID 117425098
O-[(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydroxylamine
CID 117307229

Frequently Asked Questions

What is the IUPAC name of O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine (CID 117307236) is O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine is NOCc1cc2c(cc1Cl)COCO2.
What is the InChIKey of O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
The InChIKey is GXIYTLNIJKXAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-8-1-7-3-12-5-13-9(7)2-6(8)4-14-11/h1-2H,3-5,11H2.
What are the key properties of O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine has a molecular weight of 215.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).