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Home Other Building Blocks Benzoic acid, 5-(hydroxymethyl)-2-(trifluoromethyl)-, methyl ester

Benzoic acid, 5-(hydroxymethyl)-2-(trifluoromethyl)-, methyl ester

CAS No.:
1567667-05-3
Catalog Number:
AG019EW7
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$585
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Product Description
Catalog Number:
AG019EW7
Chemical Name:
Benzoic acid, 5-(hydroxymethyl)-2-(trifluoromethyl)-, methyl ester
CAS Number:
1567667-05-3
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD31641283
IUPAC Name:
methyl 5-(hydroxymethyl)-2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H9F3O3/c1-16-9(15)7-4-6(5-14)2-3-8(7)10(11,12)13/h2-4,14H,5H2,1H3
InChI Key:
SAMFHIZBXDPRRR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CO)ccc1C(F)(F)F
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties