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

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

CAS No.:
1003709-47-4
Catalog Number:
AG0001S0
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
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Product Description
Catalog Number:
AG0001S0
Chemical Name:
Benzoic acid, 2-bromo-4-fluoro-6-methyl-
CAS Number:
1003709-47-4
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD09263435
IUPAC Name:
2-bromo-4-fluoro-6-methylbenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c1-4-2-5(10)3-6(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
VOFBSAUUUDKWGR-UHFFFAOYSA-N
SMILES:
Fc1cc(C)c(c(c1)Br)C(=O)O
Properties
Complexity:
186  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties