4-Chloro-3-isocyano-2-methylbenzoate

Base Information

• Chemical Name: 4-Chloro-3-isocyano-2-methylbenzoate
• CAS No.: 730971-37-6
• Molecular Formula: C9H6ClNO2
• Molecular Weight: 195.6
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40700234
• Wikidata: Q82631471
• Mol file: 730971-37-6.mol

Synonyms:4-chloro-3-isocyano-2-methylbenzoate;DTXSID40700234

Chemical Property of 4-Chloro-3-isocyano-2-methylbenzoate

Chemical Property:

• PSA: 26.30000
• LogP: 1.90810
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 194.0008811
• Heavy Atom Count: 13
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1[N+]#[C-])Cl)C(=O)[O-]