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Home Bromides 65300-30-3
65300-30-3,MFCD11845757
Catalog No.:AA006T9Z

65300-30-3 | (3E)-4-(3-Bromophenyl)but-3-en-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$114.00   $80.00
- +
1g
98%
in stock  
$145.00   $102.00
- +
5g
98%
in stock  
$411.00   $288.00
- +
25g
98%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA006T9Z
Chemical Name:
(3E)-4-(3-Bromophenyl)but-3-en-2-one
CAS Number:
65300-30-3
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD11845757
SMILES:
CC(=O)/C=C/c1cccc(c1)Br
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Literature

Title: Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.

Journal: Bioorganic & medicinal chemistry letters 20020902

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SDS
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Tags:65300-30-3 Molecular Formula|65300-30-3 MDL|65300-30-3 SMILES|65300-30-3 (3E)-4-(3-Bromophenyl)but-3-en-2-one