2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol

C8H8BrNO2 — CID 5154679

IUPAC2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol
SMILESON=C(CBr)c1ccccc1O
InChIInChI=1S/C8H8BrNO2/c9-5-7(10-12)6-3-1-2-4-8(6)11/h1-4,11-12H,5H2
InChIKeyUTIQUWWEABFDEC-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.97
Rot. Bonds2

About 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol

2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol (PubChem CID 5154679) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol
PubChem CID5154679
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol
SMILESON=C(CBr)c1ccccc1O
InChIInChI=1S/C8H8BrNO2/c9-5-7(10-12)6-3-1-2-4-8(6)11/h1-4,11-12H,5H2
InChIKeyUTIQUWWEABFDEC-UHFFFAOYSA-N
XLogP1.97
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol?
The IUPAC name of 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol (CID 5154679) is 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol.
What is the SMILES notation for 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol?
The canonical SMILES for 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol is ON=C(CBr)c1ccccc1O.
What is the InChIKey of 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol?
The InChIKey is UTIQUWWEABFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-5-7(10-12)6-3-1-2-4-8(6)11/h1-4,11-12H,5H2.
What are the key properties of 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol?
2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol has a molecular weight of 230.06 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol is sourced from PubChem (CID 5154679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).