(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride

C8H7BrClNO — CID 106892138

IUPAC(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride
SMILESCc1ccc(/C(Cl)=N/O)cc1Br
InChIInChI=1S/C8H7BrClNO/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3/b11-8-
InChIKeyJGGPZZBGACMKNT-FLIBITNWSA-N
MW248.51 g/mol
LogP3.13
Rot. Bonds1

About (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride

(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride (PubChem CID 106892138) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride
PubChem CID106892138
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride
SMILESCc1ccc(/C(Cl)=N/O)cc1Br
InChIInChI=1S/C8H7BrClNO/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3/b11-8-
InChIKeyJGGPZZBGACMKNT-FLIBITNWSA-N
XLogP3.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 53.13
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

3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 130174117
3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride
CID 123309904
3-bromo-4-methylbenzenecarbothioic S-acid
CID 22745157
N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
CID 86694674
(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride
CID 137265557
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577
3-bromo-4-methylbenzoyl azide
CID 81472134
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride (CID 106892138) is (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride is Cc1ccc(/C(Cl)=N/O)cc1Br.
What is the InChIKey of (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The InChIKey is JGGPZZBGACMKNT-FLIBITNWSA-N. The full InChI is InChI=1S/C8H7BrClNO/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3/b11-8-.
What are the key properties of (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride has a molecular weight of 248.51 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 106892138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).