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874801-40-8 | 2-Thiophenecarboxylicacid, 5-(2,4-difluorophenyl)-
CAS No: 874801-40-8 Catalog No: AG004I6N MDL No:
Product Description
Catalog Number:
AG004I6N
Chemical Name:
2-Thiophenecarboxylicacid, 5-(2,4-difluorophenyl)-
CAS Number:
874801-40-8
Molecular Formula:
C11H6F2O2S
Molecular Weight:
240.2259
IUPAC Name:
5-(2,4-difluorophenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H6F2O2S/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChI Key:
BZMIRENONUYABD-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)c1ccc(s1)C(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.224g/mol
Monoisotopic Mass:
240.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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