Home Halogens 7-chlorobenzofuran-4-carboxylic acid

7-chlorobenzofuran-4-carboxylic acid

CAS No.:
1038509-42-0
Catalog Number:
AG01C84T
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
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Product Description
Catalog Number:
AG01C84T
Chemical Name:
7-chlorobenzofuran-4-carboxylic acid
CAS Number:
1038509-42-0
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
MDL Number:
MFCD20527735
IUPAC Name:
7-chloro-1-benzofuran-4-carboxylic acid
InChI:
InChI=1S/C9H5ClO3/c10-7-2-1-6(9(11)12)5-3-4-13-8(5)7/h1-4H,(H,11,12)
InChI Key:
GVOZOHSZUJYIQL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cco2)Cl
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:
2.5  
Properties