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Home > Fluorides > 1261993-00-3
1261993-00-3 | Benzoic acid, 2-fluoro-5-(3-thienyl)-
CAS No: 1261993-00-3 Catalog No: AG000SBI MDL No:MFCD18318887
Product Description
Catalog Number:
AG000SBI
Chemical Name:
Benzoic acid, 2-fluoro-5-(3-thienyl)-
CAS Number:
1261993-00-3
Molecular Formula:
C11H7FO2S
Molecular Weight:
222.2355
MDL Number:
MFCD18318887
IUPAC Name:
2-fluoro-5-thiophen-3-ylbenzoic acid
InChI:
InChI=1S/C11H7FO2S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6H,(H,13,14)
InChI Key:
CYISDRCRIVBKGS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1F)c1cscc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.233g/mol
Monoisotopic Mass:
222.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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