O-(3-bromo-4-methylphenyl)hydroxylamine

C7H8BrNO — CID 131165484

IUPACO-(3-bromo-4-methylphenyl)hydroxylamine
SMILESCc1ccc(ON)cc1Br
InChIInChI=1S/C7H8BrNO/c1-5-2-3-6(10-9)4-7(5)8/h2-4H,9H2,1H3
InChIKeyXXAJXOKJSWBFFI-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.01
Rot. Bonds1

About O-(3-bromo-4-methylphenyl)hydroxylamine

O-(3-bromo-4-methylphenyl)hydroxylamine (PubChem CID 131165484) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is O-(3-bromo-4-methylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-bromo-4-methylphenyl)hydroxylamine
PubChem CID131165484
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC NameO-(3-bromo-4-methylphenyl)hydroxylamine
SMILESCc1ccc(ON)cc1Br
InChIInChI=1S/C7H8BrNO/c1-5-2-3-6(10-9)4-7(5)8/h2-4H,9H2,1H3
InChIKeyXXAJXOKJSWBFFI-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
CID 166607692
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene
CID 170276413
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
3-amino-2-(3-bromo-4-methylphenoxy)carbonylprop-2-enoic acid
CID 70131787
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440

Frequently Asked Questions

What is the IUPAC name of O-(3-bromo-4-methylphenyl)hydroxylamine?
The IUPAC name of O-(3-bromo-4-methylphenyl)hydroxylamine (CID 131165484) is O-(3-bromo-4-methylphenyl)hydroxylamine.
What is the SMILES notation for O-(3-bromo-4-methylphenyl)hydroxylamine?
The canonical SMILES for O-(3-bromo-4-methylphenyl)hydroxylamine is Cc1ccc(ON)cc1Br.
What is the InChIKey of O-(3-bromo-4-methylphenyl)hydroxylamine?
The InChIKey is XXAJXOKJSWBFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-2-3-6(10-9)4-7(5)8/h2-4H,9H2,1H3.
What are the key properties of O-(3-bromo-4-methylphenyl)hydroxylamine?
O-(3-bromo-4-methylphenyl)hydroxylamine has a molecular weight of 202.05 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-bromo-4-methylphenyl)hydroxylamine is sourced from PubChem (CID 131165484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).