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Home Other Building Blocks 4-[(2,2,2-trifluoroethoxy)methyl]benzoic acid

4-[(2,2,2-trifluoroethoxy)methyl]benzoic acid

CAS No.:
438473-98-4
Catalog Number:
AG019K6L
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
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Product Description
Catalog Number:
AG019K6L
Chemical Name:
4-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
CAS Number:
438473-98-4
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD02253721
IUPAC Name:
4-(2,2,2-trifluoroethoxymethyl)benzoic acid
InChI:
InChI=1S/C10H9F3O3/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H,14,15)
InChI Key:
GSTMGMCOMQTWKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)COCC(F)(F)F
Properties
Complexity:
232  
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties