Home Carboxys 4,5-difluoro-1-benzofuran-2-carboxylic acid

4,5-difluoro-1-benzofuran-2-carboxylic acid

CAS No.:
1521284-52-5
Catalog Number:
AG00IL7K
Molecular Formula:
C9H4F2O3
Molecular Weight:
198.1231
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Product Description
Catalog Number:
AG00IL7K
Chemical Name:
4,5-difluoro-1-benzofuran-2-carboxylic acid
CAS Number:
1521284-52-5
Molecular Formula:
C9H4F2O3
Molecular Weight:
198.1231
MDL Number:
MFCD26687894
IUPAC Name:
4,5-difluoro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H4F2O3/c10-5-1-2-6-4(8(5)11)3-7(14-6)9(12)13/h1-3H,(H,12,13)
InChI Key:
ODDYTJUOEREEMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1)c(F)c(cc2)F
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.125g/mol
Monoisotopic Mass:
198.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties