Home Halogens 4-Amino-3-bromo-5-fluorobenzoic acid

4-Amino-3-bromo-5-fluorobenzoic acid

CAS No.:
1027512-98-6
Catalog Number:
AG0008A4
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$107
- +
5g
95%
1 week
United States
$246
- +
25g
95%
1 week
United States
$1038
- +
Product Description
Catalog Number:
AG0008A4
Chemical Name:
4-Amino-3-bromo-5-fluorobenzoic acid
CAS Number:
1027512-98-6
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD09800713
IUPAC Name:
4-amino-3-bromo-5-fluorobenzoic acid
InChI:
InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key:
PJVAVLLTKLXTFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)Br)N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties