Home Halogens Benzoic acid, 4-bromo-2-fluoro-6-methoxy-

Benzoic acid, 4-bromo-2-fluoro-6-methoxy-

CAS No.:
1472104-49-6
Catalog Number:
AG001EP8
Molecular Formula:
C8H6BrFO3
Molecular Weight:
249.0338
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Product Description
Catalog Number:
AG001EP8
Chemical Name:
Benzoic acid, 4-bromo-2-fluoro-6-methoxy-
CAS Number:
1472104-49-6
Molecular Formula:
C8H6BrFO3
Molecular Weight:
249.0338
MDL Number:
MFCD22570393
IUPAC Name:
4-bromo-2-fluoro-6-methoxybenzoic acid
InChI:
InChI=1S/C8H6BrFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
HURPNPSJCSOLOZ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1C(=O)O)F
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.948g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.035g/mol
Monoisotopic Mass:
247.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties