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116419-96-6 | Methyl 5-trifluoromethylthiophene-2-carboxylate
CAS No: 116419-96-6 Catalog No: AG01F9PY MDL No:MFCD28126789
Product Description
Catalog Number:
AG01F9PY
Chemical Name:
Methyl 5-trifluoromethylthiophene-2-carboxylate
CAS Number:
116419-96-6
Molecular Formula:
C7H5F3O2S
Molecular Weight:
210.1736
MDL Number:
MFCD28126789
IUPAC Name:
methyl 5-(trifluoromethyl)thiophene-2-carboxylate
InChI:
InChI=1S/C7H5F3O2S/c1-12-6(11)4-2-3-5(13-4)7(8,9)10/h2-3H,1H3
InChI Key:
KMGATTBDJVDZLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)C(F)(F)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.17g/mol
Monoisotopic Mass:
209.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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