Home Other Building Blocks 3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid

3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid

CAS No.:
50703-56-5
Catalog Number:
AG01A5SJ
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
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Product Description
Catalog Number:
AG01A5SJ
Chemical Name:
3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid
CAS Number:
50703-56-5
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
MDL Number:
MFCD12794483
IUPAC Name:
3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C11H13FO3/c1-7(11(13)14)5-8-3-4-10(15-2)9(12)6-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChI Key:
AAABJKSOVYDFKA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)CC(C(=O)O)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties