(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide

C7H5Br2NO — CID 22103714

IUPAC(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide
SMILESO/N=C(\Br)c1ccc(Br)cc1
InChIInChI=1S/C7H5Br2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H/b10-7-
InChIKeyVZCMELZEKHNABC-YFHOEESVSA-N
MW278.93 g/mol
LogP2.98
Rot. Bonds1

About (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide

(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide (PubChem CID 22103714) has the molecular formula C7H5Br2NO and a molecular weight of 278.93 g/mol. Its IUPAC name is (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide.

Molecular Properties

Compound Name(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide
PubChem CID22103714
Molecular FormulaC7H5Br2NO
Molecular Weight278.93 g/mol
Exact Mass276.87
IUPAC Name(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide
SMILESO/N=C(\Br)c1ccc(Br)cc1
InChIInChI=1S/C7H5Br2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H/b10-7-
InChIKeyVZCMELZEKHNABC-YFHOEESVSA-N
XLogP2.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.93
LogP ≤ 52.98
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

1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239
(2Z)-1-(4-bromophenyl)-2-hydroxyiminoethanone
CID 11356618
azane;1,4-dibromobenzene
CID 175259215
2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide
CID 131176742
N-[1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-ynylidene]hydroxylamine
CID 175183780
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 73431883
[2-(4-bromophenyl)-2-hydroxyiminoethyl] 4-bromobenzoate
CID 71950569
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(NE)-N-[(4Z)-4-[4-(4-bromophenyl)phenyl]-4-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 122451039
4-bromobenzoic acid;copper
CID 67824318
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide?
The IUPAC name of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide (CID 22103714) is (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide.
What is the SMILES notation for (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide?
The canonical SMILES for (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide is O/N=C(\Br)c1ccc(Br)cc1.
What is the InChIKey of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide?
The InChIKey is VZCMELZEKHNABC-YFHOEESVSA-N. The full InChI is InChI=1S/C7H5Br2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H/b10-7-.
What are the key properties of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide?
(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide has a molecular weight of 278.93 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide is sourced from PubChem (CID 22103714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).