Home Carboxys Benzo[b]thiophene-2-carboxylic acid, 6-fluoro-3-methyl-

Benzo[b]thiophene-2-carboxylic acid, 6-fluoro-3-methyl-

CAS No.:
863119-55-5
Catalog Number:
AG00IE0A
Molecular Formula:
C10H7FO2S
Molecular Weight:
210.2248
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Product Description
Catalog Number:
AG00IE0A
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 6-fluoro-3-methyl-
CAS Number:
863119-55-5
Molecular Formula:
C10H7FO2S
Molecular Weight:
210.2248
MDL Number:
MFCD13196326
IUPAC Name:
6-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H7FO2S/c1-5-7-3-2-6(11)4-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
GUUAYRKGCBXNQL-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sc(c2C)C(=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:
210.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.222g/mol
Monoisotopic Mass:
210.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties