Home Halogens Benzeneacetic acid, α-bromo-4-fluoro-

Benzeneacetic acid, α-bromo-4-fluoro-

CAS No.:
29270-33-5
Catalog Number:
AG002XWP
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
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Product Description
Catalog Number:
AG002XWP
Chemical Name:
Benzeneacetic acid, α-bromo-4-fluoro-
CAS Number:
29270-33-5
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD08276759
IUPAC Name:
2-bromo-2-(4-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrFO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)
InChI Key:
ATILMAUMZRFROS-UHFFFAOYSA-N
SMILES:
BrC(c1ccc(cc1)F)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:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties