Home Carboxys methyl 4,7-difluoro-1-benzothiophene-2-carboxylate

methyl 4,7-difluoro-1-benzothiophene-2-carboxylate

CAS No.:
2059994-76-0
Catalog Number:
AG01B5QR
Molecular Formula:
C10H6F2O2S
Molecular Weight:
228.2152
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Product Description
Catalog Number:
AG01B5QR
Chemical Name:
methyl 4,7-difluoro-1-benzothiophene-2-carboxylate
CAS Number:
2059994-76-0
Molecular Formula:
C10H6F2O2S
Molecular Weight:
228.2152
MDL Number:
MFCD29378738
IUPAC Name:
methyl 4,7-difluoro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H6F2O2S/c1-14-10(13)8-4-5-6(11)2-3-7(12)9(5)15-8/h2-4H,1H3
InChI Key:
MCJQGBYCYITYHR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)c(F)ccc2F
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.006g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.213g/mol
Monoisotopic Mass:
228.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties