Home Halogens 6-chloro-7-fluoro-1-benzofuran-2-carboxylic acid

6-chloro-7-fluoro-1-benzofuran-2-carboxylic acid

CAS No.:
2137767-53-2
Catalog Number:
AG01EKX6
Molecular Formula:
C9H4ClFO3
Molecular Weight:
214.5777
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Product Description
Catalog Number:
AG01EKX6
Chemical Name:
6-chloro-7-fluoro-1-benzofuran-2-carboxylic acid
CAS Number:
2137767-53-2
Molecular Formula:
C9H4ClFO3
Molecular Weight:
214.5777
MDL Number:
MFCD31461986
IUPAC Name:
6-chloro-7-fluoro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H4ClFO3/c10-5-2-1-4-3-6(9(12)13)14-8(4)7(5)11/h1-3H,(H,12,13)
InChI Key:
OAQZBUTVXUBAGN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(o1)c(F)c(cc2)Cl
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.983g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.576g/mol
Monoisotopic Mass:
213.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties