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23464-94-0 | 2-Oxazolepropanoic acid, 5-(4-fluorophenyl)-
CAS No: 23464-94-0 Catalog No: AG002NBT MDL No:MFCD08691301
Product Description
Catalog Number:
AG002NBT
Chemical Name:
2-Oxazolepropanoic acid, 5-(4-fluorophenyl)-
CAS Number:
23464-94-0
Molecular Formula:
C12H10FNO3
Molecular Weight:
235.2111
MDL Number:
MFCD08691301
IUPAC Name:
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid
InChI:
InChI=1S/C12H10FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChI Key:
XCFZOPRHLRLVDB-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ncc(o1)c1ccc(cc1)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.214g/mol
Monoisotopic Mass:
235.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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