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Home Halogens 7-chloro-2H-1,3-benzodioxole-5-carboxylic acid

7-chloro-2H-1,3-benzodioxole-5-carboxylic acid

CAS No.:
22519-35-3
Catalog Number:
AG00I4G1
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
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Product Description
Catalog Number:
AG00I4G1
Chemical Name:
7-chloro-2H-1,3-benzodioxole-5-carboxylic acid
CAS Number:
22519-35-3
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD06386690
IUPAC Name:
7-chloro-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C8H5ClO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)
InChI Key:
LAERQWJVFGZZHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)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:
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  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties