Home Halogens 3-bromo-5-fluoro-4-hydroxybenzoic acid

3-bromo-5-fluoro-4-hydroxybenzoic acid

CAS No.:
1781774-76-2
Catalog Number:
AG01BS8K
Molecular Formula:
C7H4BrFO3
Molecular Weight:
235.0073
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Product Description
Catalog Number:
AG01BS8K
Chemical Name:
3-bromo-5-fluoro-4-hydroxybenzoic acid
CAS Number:
1781774-76-2
Molecular Formula:
C7H4BrFO3
Molecular Weight:
235.0073
MDL Number:
MFCD28738978
IUPAC Name:
3-bromo-5-fluoro-4-hydroxybenzoic acid
InChI:
InChI=1S/C7H4BrFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChI Key:
NOWZCCJKXCSYKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)Br)O
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.933g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.008g/mol
Monoisotopic Mass:
233.933g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties