Home Carboxys 4,6-difluoro-1-benzofuran-3-carboxylic acid

4,6-difluoro-1-benzofuran-3-carboxylic acid

CAS No.:
1517807-37-2
Catalog Number:
AG01DVI3
Molecular Formula:
C9H4F2O3
Molecular Weight:
198.1231
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Product Description
Catalog Number:
AG01DVI3
Chemical Name:
4,6-difluoro-1-benzofuran-3-carboxylic acid
CAS Number:
1517807-37-2
Molecular Formula:
C9H4F2O3
Molecular Weight:
198.1231
MDL Number:
MFCD21281712
IUPAC Name:
4,6-difluoro-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H4F2O3/c10-4-1-6(11)8-5(9(12)13)3-14-7(8)2-4/h1-3H,(H,12,13)
InChI Key:
XWMSJXUGUIOQMY-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c2c(c1)occ2C(=O)O
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:
2.1  
Properties