Home Other Building Blocks 2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid

2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid

CAS No.:
87964-30-5
Catalog Number:
AG019O6E
Molecular Formula:
C10H6F6O3
Molecular Weight:
288.1433
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Product Description
Catalog Number:
AG019O6E
Chemical Name:
2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid
CAS Number:
87964-30-5
Molecular Formula:
C10H6F6O3
Molecular Weight:
288.1433
MDL Number:
MFCD06655560
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid
InChI:
InChI=1S/C10H6F6O3/c11-9(12,13)5-1-6(10(14,15)16)3-7(2-5)19-4-8(17)18/h1-3H,4H2,(H,17,18)
InChI Key:
LAICZTCYXNZHMU-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.022g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.145g/mol
Monoisotopic Mass:
288.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties