4-methoxybenzenecarbohydrazonoyl chloride

C8H9ClN2O — CID 175972559

IUPAC4-methoxybenzenecarbohydrazonoyl chloride
SMILESCOc1ccc(C(Cl)=NN)cc1
InChIInChI=1S/C8H9ClN2O/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5H,10H2,1H3
InChIKeyJZNJLVYZETUVBF-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.55
Rot. Bonds2

About 4-methoxybenzenecarbohydrazonoyl chloride

4-methoxybenzenecarbohydrazonoyl chloride (PubChem CID 175972559) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-methoxybenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name4-methoxybenzenecarbohydrazonoyl chloride
PubChem CID175972559
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-methoxybenzenecarbohydrazonoyl chloride
SMILESCOc1ccc(C(Cl)=NN)cc1
InChIInChI=1S/C8H9ClN2O/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5H,10H2,1H3
InChIKeyJZNJLVYZETUVBF-UHFFFAOYSA-N
XLogP1.55
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
CID 23281221
N-(4-chlorophenyl)-4-methoxybenzenecarboximidoyl chloride
CID 24827368
[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
CID 88820123
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
CID 12714057
CID 12714057
N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride
CID 173482787
1-diaminoboranyl-4-methoxybenzene
CID 174068514
(4-methoxyphenyl)-oxomethanesulfonyl chloride
CID 21104949

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzenecarbohydrazonoyl chloride?
The IUPAC name of 4-methoxybenzenecarbohydrazonoyl chloride (CID 175972559) is 4-methoxybenzenecarbohydrazonoyl chloride.
What is the SMILES notation for 4-methoxybenzenecarbohydrazonoyl chloride?
The canonical SMILES for 4-methoxybenzenecarbohydrazonoyl chloride is COc1ccc(C(Cl)=NN)cc1.
What is the InChIKey of 4-methoxybenzenecarbohydrazonoyl chloride?
The InChIKey is JZNJLVYZETUVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5H,10H2,1H3.
What are the key properties of 4-methoxybenzenecarbohydrazonoyl chloride?
4-methoxybenzenecarbohydrazonoyl chloride has a molecular weight of 184.63 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 175972559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).