Home Halogens 2-(4-bromo-2-fluorophenoxy)butanoic acid

2-(4-bromo-2-fluorophenoxy)butanoic acid

CAS No.:
1152843-96-3
Catalog Number:
AG01ELCZ
Molecular Formula:
C10H10BrFO3
Molecular Weight:
277.0870
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Product Description
Catalog Number:
AG01ELCZ
Chemical Name:
2-(4-bromo-2-fluorophenoxy)butanoic acid
CAS Number:
1152843-96-3
Molecular Formula:
C10H10BrFO3
Molecular Weight:
277.0870
MDL Number:
MFCD12147993
IUPAC Name:
2-(4-bromo-2-fluorophenoxy)butanoic acid
InChI:
InChI=1S/C10H10BrFO3/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H,13,14)
InChI Key:
YIBPGQNJYCTOOG-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1ccc(cc1F)Br
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.98g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.089g/mol
Monoisotopic Mass:
275.98g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties