(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride

C8H7BrClNO — CID 59255304

IUPAC(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C8H7BrClNO/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2/b11-8-
InChIKeySUEJOLWQQSZKLF-FLIBITNWSA-N
MW248.51 g/mol
LogP3.02
Rot. Bonds2

About (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride

(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride (PubChem CID 59255304) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride
PubChem CID59255304
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C8H7BrClNO/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2/b11-8-
InChIKeySUEJOLWQQSZKLF-FLIBITNWSA-N
XLogP3.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine
CID 88781630
1-bromo-4-(2-chloroprop-2-enyl)benzene
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(2Z)-3-(4-bromophenyl)-2-hydroxyiminopropanoic acid
CID 165486392
2-(4-bromophenyl)acetic acid;2-(4-bromophenyl)acetyl chloride
CID 87964783
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 135992550
1-bromo-4-ethylbenzene
CID 20805498
(Z)-2,3-bis[(4-bromophenyl)methyl]but-2-enedioic acid
CID 19009870
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride
CID 117266598
3-(4-bromophenyl)-1-chloro-1,1-difluoropropan-2-one
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1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride?
The IUPAC name of (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride (CID 59255304) is (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride.
What is the SMILES notation for (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride?
The canonical SMILES for (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride is O/N=C(\Cl)Cc1ccc(Br)cc1.
What is the InChIKey of (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride?
The InChIKey is SUEJOLWQQSZKLF-FLIBITNWSA-N. The full InChI is InChI=1S/C8H7BrClNO/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2/b11-8-.
What are the key properties of (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride?
(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride has a molecular weight of 248.51 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride is sourced from PubChem (CID 59255304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).