Home Carboxys 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid

4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid

CAS No.:
854357-47-4
Catalog Number:
AG00IDO1
Molecular Formula:
C11H9FO3S
Molecular Weight:
240.2508
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Product Description
Catalog Number:
AG00IDO1
Chemical Name:
4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
CAS Number:
854357-47-4
Molecular Formula:
C11H9FO3S
Molecular Weight:
240.2508
MDL Number:
MFCD06655917
IUPAC Name:
4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C11H9FO3S/c1-15-5-6-9-7(12)3-2-4-8(9)16-10(6)11(13)14/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
CDOZCHNGLKPZLS-UHFFFAOYSA-N
SMILES:
COCc1c(sc2c1c(F)ccc2)C(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.248g/mol
Monoisotopic Mass:
240.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties