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155167-42-3 | Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrafluoro-, methyl ester
CAS No: 155167-42-3 Catalog No: AG001NP8 MDL No:
Product Description
Catalog Number:
AG001NP8
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrafluoro-, methyl ester
CAS Number:
155167-42-3
Molecular Formula:
C10H4F4O2S
Molecular Weight:
264.1962
IUPAC Name:
methyl 4,5,6,7-tetrafluoro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H4F4O2S/c1-16-10(15)4-2-3-5(11)6(12)7(13)8(14)9(3)17-4/h2H,1H3
InChI Key:
GASHSXKOOYCGAF-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c(F)c(c(c2F)F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.194g/mol
Monoisotopic Mass:
263.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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