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Home Other Building Blocks 2-Bromo-3-phenyl-propionic acid

2-Bromo-3-phenyl-propionic acid

CAS No.:
16503-53-0
Catalog Number:
AG001V7Z
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG001V7Z
Chemical Name:
2-Bromo-3-phenyl-propionic acid
CAS Number:
16503-53-0
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00461796
IUPAC Name:
2-bromo-3-phenylpropanoic acid
InChI:
InChI=1S/C9H9BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)
InChI Key:
WDRSCFNERFONKU-UHFFFAOYSA-N
SMILES:
BrC(C(=O)O)Cc1ccccc1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Regioselective synthesis of a glycomimetic trisaccharide of Sialyl Lewis (sLex). Carbohydrate research 20090217
Crystallization-induced chiral inversion as the key step for synthesis of (S)-2-acetylthio-3-phenylpropanoic acid from l-phenylalanine. Organic letters 20040916
Properties