2-Allyl-5-nitro-benzoic acid ethyl ester

Base Information

• Chemical Name: 2-Allyl-5-nitro-benzoic acid ethyl ester
• CAS No.: 851077-86-6
• Molecular Formula: C12H13NO4
• Molecular Weight: 235.23600
• DSSTox Substance ID: DTXSID30464419
• Nikkaji Number: J2.168.936J
• Mol file: 851077-86-6.mol

Synonyms:851077-86-6;2-ALLYL-5-NITRO-BENZOIC ACID ETHYL ESTER;2-Allyl-5-nitro-benzoic acid ethylester;DTXSID30464419;AKOS015962972

Chemical Property of 2-Allyl-5-nitro-benzoic acid ethyl ester

Chemical Property:

• PSA: 72.12000
• LogP: 3.02320
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

2-ALLYL-5-NITRO-BENZOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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