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Home Halogens Alpha-bromo-4-chlorophenylacetic acid

Alpha-bromo-4-chlorophenylacetic acid

CAS No.:
3381-73-5
Catalog Number:
AG003NRW
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(T)
1 week
United States
$170
- +
25g
>98.0%(T)
1 week
United States
$392
- +
Product Description
Catalog Number:
AG003NRW
Chemical Name:
Alpha-bromo-4-chlorophenylacetic acid
CAS Number:
3381-73-5
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD08276760
IUPAC Name:
2-bromo-2-(4-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)
InChI Key:
KKOAAWLOOHBFQP-UHFFFAOYSA-N
SMILES:
BrC(c1ccc(cc1)Cl)C(=O)O
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Copper(II)-mediated resolution of alpha-halo carboxylic acids with chiral O,O'-dibenzoyltartaric acid: spontaneous racemization and crystallization-induced dynamic resolution. Organic & biomolecular chemistry 20051207
Properties