(1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one

C9H8BrNO2 — CID 6405350

IUPAC(1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c1-6(12)9(11-13)7-2-4-8(10)5-3-7/h2-5,13H,1H3/b11-9+
InChIKeyDYEXJLHTGYYWSF-PKNBQFBNSA-N
MW242.07 g/mol
LogP2.22
Rot. Bonds2

About (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one

(1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one (PubChem CID 6405350) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one.

Molecular Properties

Compound Name(1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one
PubChem CID6405350
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name(1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c1-6(12)9(11-13)7-2-4-8(10)5-3-7/h2-5,13H,1H3/b11-9+
InChIKeyDYEXJLHTGYYWSF-PKNBQFBNSA-N
XLogP2.22
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one?
The IUPAC name of (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one (CID 6405350) is (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one.
What is the SMILES notation for (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one?
The canonical SMILES for (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one is CC(=O)/C(=N\O)c1ccc(Br)cc1.
What is the InChIKey of (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one?
The InChIKey is DYEXJLHTGYYWSF-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-6(12)9(11-13)7-2-4-8(10)5-3-7/h2-5,13H,1H3/b11-9+.
What are the key properties of (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one?
(1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one has a molecular weight of 242.07 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-bromophenyl)-1-hydroxyiminopropan-2-one is sourced from PubChem (CID 6405350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).