Home Bromides 1022128-98-8
1022128-98-8,MFCD11042449
Catalog No.:AA0006V1
1022128-98-8 | 3-(5-Bromopyridin-3-yl)propanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$215.00   $150.00
- +
1g
95%
in stock  
$555.00   $389.00
- +
5g
95%
in stock  
$1,905.00   $1,334.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0006V1
Chemical Name:
3-(5-Bromopyridin-3-yl)propanoic acid
CAS Number:
1022128-98-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD11042449
IUPAC Name:
3-(5-bromopyridin-3-yl)propanoic acid
InChI:
InChI=1S/C8H8BrNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h3-5H,1-2H2,(H,11,12)
InChI Key:
MZIRJKCDGHPTMM-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cncc(c1)Br
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3-(5-bromopyridin-3-yl)propanoic acid 
1022128-98-8 
AKOS024099346 
MCULE-6729572879 
3-Pyridinepropanoic acid, 5-bromo- 
SCHEMBL1475664 
CTK0G9294 
5-Bromo-3-pyridinepropanoic acid 
DTXSID60669753 
3-Pyridinepropanoicacid, 5-bromo- 
MFCD11042449 
ZINC39326021 
Literature
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