(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine

C9H9Br2NO — CID 10902866

IUPAC(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine
SMILESCO/N=C(\CBr)c1ccc(Br)cc1
InChIInChI=1S/C9H9Br2NO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3/b12-9+
InChIKeyIMGBGULUQGPZRQ-FMIVXFBMSA-N
MW306.99 g/mol
LogP3.19
Rot. Bonds3

About (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine

(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine (PubChem CID 10902866) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine
PubChem CID10902866
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine
SMILESCO/N=C(\CBr)c1ccc(Br)cc1
InChIInChI=1S/C9H9Br2NO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3/b12-9+
InChIKeyIMGBGULUQGPZRQ-FMIVXFBMSA-N
XLogP3.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine?
The IUPAC name of (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine (CID 10902866) is (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine.
What is the SMILES notation for (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine?
The canonical SMILES for (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine is CO/N=C(\CBr)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine?
The InChIKey is IMGBGULUQGPZRQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3/b12-9+.
What are the key properties of (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine?
(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine has a molecular weight of 306.99 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine is sourced from PubChem (CID 10902866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).