3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride

C7H4BrCl2NO — CID 130174117

IUPAC3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H4BrCl2NO/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H
InChIKeyUKKNYRKLOMJTPN-UHFFFAOYSA-N
MW268.93 g/mol
LogP3.48
Rot. Bonds1

About 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride

3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 130174117) has the molecular formula C7H4BrCl2NO and a molecular weight of 268.93 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID130174117
Molecular FormulaC7H4BrCl2NO
Molecular Weight268.93 g/mol
Exact Mass266.89
IUPAC Name3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H4BrCl2NO/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H
InChIKeyUKKNYRKLOMJTPN-UHFFFAOYSA-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

(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride
CID 106892138
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 107998426
(E)-3-(3-bromo-4-chlorophenyl)-3-chloroprop-2-enenitrile
CID 107989248
(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 155819579
(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 106892109
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
CID 107992517
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride (CID 130174117) is 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is UKKNYRKLOMJTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2NO/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H.
What are the key properties of 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride?
3-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 3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 130174117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).