phenoxymethanimidoyl chloride

C7H6ClNO — CID 148665652

IUPACphenoxymethanimidoyl chloride
SMILES[H]/N=C(\Cl)Oc1ccccc1
InChIInChI=1S/C7H6ClNO/c8-7(9)10-6-4-2-1-3-5-6/h1-5,9H/b9-7+
InChIKeyNORGJRUOGVRCMQ-VQHVLOKHSA-N
MW155.58 g/mol
LogP2.24
Rot. Bonds1

About phenoxymethanimidoyl chloride

phenoxymethanimidoyl chloride (PubChem CID 148665652) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is phenoxymethanimidoyl chloride.

Molecular Properties

Compound Namephenoxymethanimidoyl chloride
PubChem CID148665652
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Namephenoxymethanimidoyl chloride
SMILES[H]/N=C(\Cl)Oc1ccccc1
InChIInChI=1S/C7H6ClNO/c8-7(9)10-6-4-2-1-3-5-6/h1-5,9H/b9-7+
InChIKeyNORGJRUOGVRCMQ-VQHVLOKHSA-N
XLogP2.24
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze phenoxymethanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron;phenyl carbonochloridate
CID 159914445
methanamine;phenyl carbonochloridate
CID 91260916
ethyl carbonochloridate;3-imino-3-phenoxypropanoic acid
CID 158923379
diphenyl carbonate;ethane;molecular iodine
CID 159087497
phenyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
CID 19833954
chloro acetate;phenyl carbonochloridate
CID 87652464
O-phenoxycarbonyl chloromethanethioate
CID 150306756
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
phenyl 5-aminopyrazole-1-carboximidate
CID 14905367
1-chloroprop-1-en-2-yloxybenzene
CID 525301
2-O-chloro 1-O-phenyl oxalate
CID 54251565
O-phenyl iodomethanethioate
CID 145496288

Frequently Asked Questions

What is the IUPAC name of phenoxymethanimidoyl chloride?
The IUPAC name of phenoxymethanimidoyl chloride (CID 148665652) is phenoxymethanimidoyl chloride.
What is the SMILES notation for phenoxymethanimidoyl chloride?
The canonical SMILES for phenoxymethanimidoyl chloride is [H]/N=C(\Cl)Oc1ccccc1.
What is the InChIKey of phenoxymethanimidoyl chloride?
The InChIKey is NORGJRUOGVRCMQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-7(9)10-6-4-2-1-3-5-6/h1-5,9H/b9-7+.
What are the key properties of phenoxymethanimidoyl chloride?
phenoxymethanimidoyl chloride has a molecular weight of 155.58 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxymethanimidoyl chloride is sourced from PubChem (CID 148665652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).