(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride

C2H2Cl2N2O2 — CID 135507761

IUPAC(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride
SMILESO/N=C(Cl)\C(Cl)=N/O
InChIInChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H/b5-1+,6-2+
InChIKeyKTQVJAPIQPIIPF-IJIVKGSJSA-N
MW156.96 g/mol
LogP1.04
Rot. Bonds1

About (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride

(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride (PubChem CID 135507761) has the molecular formula C2H2Cl2N2O2 and a molecular weight of 156.96 g/mol. Its IUPAC name is (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride.

Molecular Properties

Compound Name(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride
PubChem CID135507761
Molecular FormulaC2H2Cl2N2O2
Molecular Weight156.96 g/mol
Exact Mass155.95
IUPAC Name(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride
SMILESO/N=C(Cl)\C(Cl)=N/O
InChIInChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H/b5-1+,6-2+
InChIKeyKTQVJAPIQPIIPF-IJIVKGSJSA-N
XLogP1.04
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.96
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride
CID 134856758
copper;hypochlorous acid;hydrate
CID 174814635
(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride
CID 122577405
hypochlorous acid
CID 161233655
2-ethyl-N-hydroxybutanimidoyl chloride
CID 72760486
N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride
CID 78408183
(1Z)-N-hydroxy-2-(2-hydroxyiminopropylideneamino)-2-methyliminoethanimidoyl chloride
CID 172965724
2-chloro-2-hydroxyiminoacetic acid;ethyl acetate
CID 161411717
2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride
CID 75088887
but-3-enyl (2Z)-2-chloro-2-hydroxyiminoacetate
CID 12629675
4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
CID 86155021
(NE)-N-(3-chlorobutan-2-ylidene)hydroxylamine
CID 12545781

Frequently Asked Questions

What is the IUPAC name of (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride?
The IUPAC name of (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride (CID 135507761) is (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride.
What is the SMILES notation for (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride?
The canonical SMILES for (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride is O/N=C(Cl)\C(Cl)=N/O.
What is the InChIKey of (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride?
The InChIKey is KTQVJAPIQPIIPF-IJIVKGSJSA-N. The full InChI is InChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H/b5-1+,6-2+.
What are the key properties of (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride?
(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride has a molecular weight of 156.96 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride is sourced from PubChem (CID 135507761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).