Home Halogens 5-chloro-7-fluoro-1-benzofuran-3-carboxylic acid

5-chloro-7-fluoro-1-benzofuran-3-carboxylic acid

CAS No.:
1508825-77-1
Catalog Number:
AG01DR9F
Molecular Formula:
C9H4ClFO3
Molecular Weight:
214.5777
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Product Description
Catalog Number:
AG01DR9F
Chemical Name:
5-chloro-7-fluoro-1-benzofuran-3-carboxylic acid
CAS Number:
1508825-77-1
Molecular Formula:
C9H4ClFO3
Molecular Weight:
214.5777
MDL Number:
MFCD29498423
IUPAC Name:
5-chloro-7-fluoro-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H4ClFO3/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3H,(H,12,13)
InChI Key:
NBVALMKGTJBSMO-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c2c(c1)c(co2)C(=O)O
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:
2.6  
Properties