4-{4-[(Bromoacetyl)amino]butyl}benzoic acid

Base Information

• Chemical Name: 4-{4-[(Bromoacetyl)amino]butyl}benzoic acid
• CAS No.: 10161-87-2
• Molecular Formula: C13H16 Br N O3
• Molecular Weight: 314.175
• NSC Number: 112533
• DSSTox Substance ID: DTXSID00296901
• Wikidata: Q82037706
• Mol file: 10161-87-2.mol

Synonyms:KRA-533;10161-87-2;4-{4-[(bromoacetyl)amino]butyl}benzoic acid;4-(4-(2-Bromoacetamido)butyl)benzoic acid;Benzoic acid, 4-[4-[(2-bromoacetyl)amino]butyl]-;4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid;NSC112533;SCHEMBL23148266;DTXSID00296901;EX-A7621;AKOS040756416;AT34790;NSC-112533;MS-24599;HY-138188;CS-0145846

Chemical Property of 4-{4-[(Bromoacetyl)amino]butyl}benzoic acid

Chemical Property:

• Vapor Pressure: 4.43E-12mmHg at 25°C
• Boiling Point: 530.4°C at 760 mmHg
• Flash Point: 274.6°C
• Density: 1.428g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 313.03136
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCNC(=O)CBr)C(=O)O

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