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Home > Fluorides > 127389-09-7
127389-09-7 | Benzoic acid, 3-[3-(trifluoromethyl)phenoxy]-
CAS No: 127389-09-7 Catalog No: AG000X1I MDL No:MFCD06203216
Product Description
Catalog Number:
AG000X1I
Chemical Name:
Benzoic acid, 3-[3-(trifluoromethyl)phenoxy]-
CAS Number:
127389-09-7
Molecular Formula:
C14H9F3O3
Molecular Weight:
282.2147
MDL Number:
MFCD06203216
IUPAC Name:
3-[3-(trifluoromethyl)phenoxy]benzoic acid
InChI:
InChI=1S/C14H9F3O3/c15-14(16,17)10-4-2-6-12(8-10)20-11-5-1-3-9(7-11)13(18)19/h1-8H,(H,18,19)
InChI Key:
QQWGTGSIWXIDOA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1cccc(c1)C(F)(F)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.218g/mol
Monoisotopic Mass:
282.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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