Home Carboxys 5-Chloro-1,3-benzodioxole-4-carboxylic acid

5-Chloro-1,3-benzodioxole-4-carboxylic acid

CAS No.:
379229-83-1
Catalog Number:
AG00CAIR
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$88
- +
1g
95%
In Stock USA
United States
$269
- +
5g
95%
In Stock USA
United States
$838
- +
10g
95%
In Stock USA
United States
$1450
- +
Product Description
Catalog Number:
AG00CAIR
Chemical Name:
5-Chloro-1,3-benzodioxole-4-carboxylic acid
CAS Number:
379229-83-1
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD06655990
IUPAC Name:
5-chloro-1,3-benzodioxole-4-carboxylic acid
InChI:
InChI=1S/C8H5ClO4/c9-4-1-2-5-7(13-3-12-5)6(4)8(10)11/h1-2H,3H2,(H,10,11)
InChI Key:
FBHDXAHJCOXCOF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccc2c1OCO2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.988g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.574g/mol
Monoisotopic Mass:
199.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties