Home Other Building Blocks 2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid

2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid

CAS No.:
1548413-11-1
Catalog Number:
AG01BKE3
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
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Product Description
Catalog Number:
AG01BKE3
Chemical Name:
2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid
CAS Number:
1548413-11-1
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
MDL Number:
MFCD26021857
IUPAC Name:
2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid
InChI:
InChI=1S/C12H15FO3/c1-3-6-16-11(12(14)15)10-5-4-9(13)7-8(10)2/h4-5,7,11H,3,6H2,1-2H3,(H,14,15)
InChI Key:
JAOQBJBGAJEPHH-UHFFFAOYSA-N
SMILES:
CCCOC(c1ccc(cc1C)F)C(=O)O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.247g/mol
Monoisotopic Mass:
226.101g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties