(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride

C7H4BrCl2NO — CID 155819579

IUPAC(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrCl2NO/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H/b11-7-
InChIKeyUQSCFVLGKXZQRO-XFFZJAGNSA-N
MW268.93 g/mol
LogP3.48
Rot. Bonds1

About (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride

(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 155819579) has the molecular formula C7H4BrCl2NO and a molecular weight of 268.93 g/mol. Its IUPAC name is (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID155819579
Molecular FormulaC7H4BrCl2NO
Molecular Weight268.93 g/mol
Exact Mass266.89
IUPAC Name(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrCl2NO/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H/b11-7-
InChIKeyUQSCFVLGKXZQRO-XFFZJAGNSA-N
XLogP3.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.93
LogP ≤ 53.48
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

(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 106892109
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene
CID 88702809
2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107992491
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 130174117
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 73431883

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride (CID 155819579) is (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride is O/N=C(\Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is UQSCFVLGKXZQRO-XFFZJAGNSA-N. The full InChI is InChI=1S/C7H4BrCl2NO/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H/b11-7-.
What are the key properties of (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 268.93 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 155819579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).