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Home > Fluorides > 180134-15-0
180134-15-0 | Benzoic acid, 2-methoxy-4,6-bis(trifluoromethyl)-
CAS No: 180134-15-0 Catalog No: AG0021Q0 MDL No:MFCD00728738
Product Description
Catalog Number:
AG0021Q0
Chemical Name:
Benzoic acid, 2-methoxy-4,6-bis(trifluoromethyl)-
CAS Number:
180134-15-0
Molecular Formula:
C10H6F6O3
Molecular Weight:
288.1433
MDL Number:
MFCD00728738
IUPAC Name:
2-methoxy-4,6-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C10H6F6O3/c1-19-6-3-4(9(11,12)13)2-5(10(14,15)16)7(6)8(17)18/h2-3H,1H3,(H,17,18)
InChI Key:
IIWWKGJYKXFWRG-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1C(=O)O)C(F)(F)F)C(F)(F)F
Properties
Complexity:
337
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:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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