2-phenylethanehydrazonoyl chloride

C8H9ClN2 — CID 130133469

IUPAC2-phenylethanehydrazonoyl chloride
SMILESNN=C(Cl)Cc1ccccc1
InChIInChI=1S/C8H9ClN2/c9-8(11-10)6-7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyPAEFPLAMCQAXJA-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.74
Rot. Bonds2

About 2-phenylethanehydrazonoyl chloride

2-phenylethanehydrazonoyl chloride (PubChem CID 130133469) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-phenylethanehydrazonoyl chloride.

Molecular Properties

Compound Name2-phenylethanehydrazonoyl chloride
PubChem CID130133469
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-phenylethanehydrazonoyl chloride
SMILESNN=C(Cl)Cc1ccccc1
InChIInChI=1S/C8H9ClN2/c9-8(11-10)6-7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyPAEFPLAMCQAXJA-UHFFFAOYSA-N
XLogP1.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
CID 58076264
(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
CID 58076259
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
zinc;2-phenylacetyl chloride;dichloride
CID 175497500
1,2-diphenylethylidenehydrazine;ethane
CID 91449631
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
2-(4-benzylphenyl)acetyl chloride
CID 18187385
N'-hydroxy-2-phenylethanimidamide
CID 6074309
[(E)-2-chloro-3-iodoprop-2-enyl]benzene
CID 88614127
2-benzyl-3-phenylprop-1-ene-1,1-diamine
CID 23499817
lithium 2-phenylacetate
CID 19205773

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanehydrazonoyl chloride?
The IUPAC name of 2-phenylethanehydrazonoyl chloride (CID 130133469) is 2-phenylethanehydrazonoyl chloride.
What is the SMILES notation for 2-phenylethanehydrazonoyl chloride?
The canonical SMILES for 2-phenylethanehydrazonoyl chloride is NN=C(Cl)Cc1ccccc1.
What is the InChIKey of 2-phenylethanehydrazonoyl chloride?
The InChIKey is PAEFPLAMCQAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8(11-10)6-7-4-2-1-3-5-7/h1-5H,6,10H2.
What are the key properties of 2-phenylethanehydrazonoyl chloride?
2-phenylethanehydrazonoyl chloride has a molecular weight of 168.63 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanehydrazonoyl chloride is sourced from PubChem (CID 130133469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).