Home Halogens 2-bromo-2-(3-chlorophenyl)acetic acid

2-bromo-2-(3-chlorophenyl)acetic acid

CAS No.:
3381-74-6
Catalog Number:
AG01BCG1
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
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Product Description
Catalog Number:
AG01BCG1
Chemical Name:
2-bromo-2-(3-chlorophenyl)acetic acid
CAS Number:
3381-74-6
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD26913004
IUPAC Name:
2-bromo-2-(3-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7H,(H,11,12)
InChI Key:
YXFVWXWKXCZRTF-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)Cl)Br
Properties
Complexity:
174  
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  
Properties