Home Other Building Blocks 4-fluoro-3-[(propan-2-yloxy)methyl]benzoic acid

4-fluoro-3-[(propan-2-yloxy)methyl]benzoic acid

CAS No.:
1310270-71-3
Catalog Number:
AG019SC5
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
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Product Description
Catalog Number:
AG019SC5
Chemical Name:
4-fluoro-3-[(propan-2-yloxy)methyl]benzoic acid
CAS Number:
1310270-71-3
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
MDL Number:
MFCD17287515
IUPAC Name:
4-fluoro-3-(propan-2-yloxymethyl)benzoic acid
InChI:
InChI=1S/C11H13FO3/c1-7(2)15-6-9-5-8(11(13)14)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
VDAAMTSUFBSDMP-UHFFFAOYSA-N
SMILES:
CC(OCc1cc(ccc1F)C(=O)O)C
Properties
Complexity:
218  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties