Home Other Building Blocks 4-Bromo-2-fluoro-3-methylbenzoic acid

4-Bromo-2-fluoro-3-methylbenzoic acid

CAS No.:
194804-90-5
Catalog Number:
AG0039QC
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$69
- +
1g
95%
In Stock USA
United States
$182
- +
5g
95%
In Stock USA
United States
$557
- +
Product Description
Catalog Number:
AG0039QC
Chemical Name:
4-Bromo-2-fluoro-3-methylbenzoic acid
CAS Number:
194804-90-5
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD22052783
IUPAC Name:
4-bromo-2-fluoro-3-methylbenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
PIMDCUNZRUXGME-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1F)C)Br
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