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19829-31-3,MFCD00000084
Catalog No.:AA002BCD

19829-31-3 | 1-(3-Bromophenyl)propan-1-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$32.00   $23.00
- +
25g
95%
in stock  
$99.00   $69.00
- +
100g
95%
in stock  
$361.00   $253.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002BCD
Chemical Name:
1-(3-Bromophenyl)propan-1-one
CAS Number:
19829-31-3
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD00000084
SMILES:
CCC(=O)c1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature

Title: Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3'-bromopropiophenone and 4'-bromo-3-chloropropiophenone.

Journal: Journal of molecular modeling 20110701

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Tags:19829-31-3 Molecular Formula|19829-31-3 MDL|19829-31-3 SMILES|19829-31-3 1-(3-Bromophenyl)propan-1-one
Catalog No.: AA002BCD
19829-31-3,MFCD00000084
19829-31-3 | 1-(3-Bromophenyl)propan-1-one
Pack Size： 1g
Purity： 95%
in stock
$18.00 $13.00
Pack Size： 5g
Purity： 95%
in stock
$32.00 $23.00
Pack Size： 25g
Purity： 95%
in stock
$99.00 $69.00
Pack Size： 100g
Purity： 95%
in stock
$361.00 $253.00
Quantity
- +
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Technical Information
Catalog Number: AA002BCD
Chemical Name: 1-(3-Bromophenyl)propan-1-one
CAS Number: 19829-31-3
Molecular Formula: C9H9BrO
Molecular Weight: 213.0712
MDL Number: MFCD00000084
SMILES: CCC(=O)c1cccc(c1)Br
Properties
Complexity: 145  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Literature fold

Title: Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3'-bromopropiophenone and 4'-bromo-3-chloropropiophenone.

Journal: Journal of molecular modeling20110701

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