Home Other Building Blocks 3-Bromophthalic acid

3-Bromophthalic acid

CAS No.:
116-69-8
Catalog Number:
AG000BCF
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$313
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG000BCF
Chemical Name:
3-Bromophthalic acid
CAS Number:
116-69-8
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
MDL Number:
MFCD17069368
IUPAC Name:
3-bromophthalic acid
InChI:
InChI=1S/C8H5BrO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
OIGFNQRFPUUACU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)cccc1C(=O)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.937g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.028g/mol
Monoisotopic Mass:
243.937g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties