Home Halogens 3-chloro-1-benzofuran-2-carboxylic acid

3-chloro-1-benzofuran-2-carboxylic acid

CAS No.:
856180-58-0
Catalog Number:
AG00IDQ3
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
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Product Description
Catalog Number:
AG00IDQ3
Chemical Name:
3-chloro-1-benzofuran-2-carboxylic acid
CAS Number:
856180-58-0
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
MDL Number:
MFCD20542831
IUPAC Name:
3-chloro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5ClO3/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key:
HYYPKAKRYNNGPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1Cl)cccc2
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.993g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.586g/mol
Monoisotopic Mass:
195.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties