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1083299-81-3 | [4-(4-Fluoro-phenyl)-thiazol-5-yl]-acetic acid
CAS No: 1083299-81-3 Catalog No: AG01F9Z5 MDL No:
Product Description
Catalog Number:
AG01F9Z5
Chemical Name:
[4-(4-Fluoro-phenyl)-thiazol-5-yl]-acetic acid
CAS Number:
1083299-81-3
Molecular Formula:
C11H8FNO2S
Molecular Weight:
237.2501
IUPAC Name:
2-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)11-9(5-10(14)15)16-6-13-11/h1-4,6H,5H2,(H,14,15)
InChI Key:
XRJNUEKWBXWZKH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1scnc1c1ccc(cc1)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.248g/mol
Monoisotopic Mass:
237.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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