Home Other Building Blocks methyl 2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetate

methyl 2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetate

CAS No.:
949009-74-9
Catalog Number:
AG01BA2E
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
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Product Description
Catalog Number:
AG01BA2E
Chemical Name:
methyl 2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetate
CAS Number:
949009-74-9
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD16723800
IUPAC Name:
methyl 2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C10H9F3O3/c1-16-9(15)8(14)6-3-2-4-7(5-6)10(11,12)13/h2-5,8,14H,1H3
InChI Key:
UHJIVXDTWHRCAF-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)C(F)(F)F)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties