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Home Carboxys 7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid

7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid

CAS No.:
66799-93-7
Catalog Number:
AG003NDT
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG003NDT
Chemical Name:
7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid
CAS Number:
66799-93-7
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
MDL Number:
MFCD06496489
IUPAC Name:
7-bromo-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C8H5BrO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)
InChI Key:
HLQBEIBAXJNCPT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2c(c1)OCO2
Properties
Complexity:
220  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
245.028g/mol
Monoisotopic Mass:
243.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties