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Home > Fluorides > 1271093-46-9
1271093-46-9 | 4-(2-Methoxyethoxy)-3-(trifluoromethyl)benzoic acid
CAS No: 1271093-46-9 Catalog No: AG01F8Q3 MDL No:
Product Description
Catalog Number:
AG01F8Q3
Chemical Name:
4-(2-Methoxyethoxy)-3-(trifluoromethyl)benzoic acid
CAS Number:
1271093-46-9
Molecular Formula:
C11H11F3O4
Molecular Weight:
264.1978
IUPAC Name:
4-(2-methoxyethoxy)-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C11H11F3O4/c1-17-4-5-18-9-3-2-7(10(15)16)6-8(9)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChI Key:
MTIMYSKQEMOELX-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1C(F)(F)F)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.2g/mol
Monoisotopic Mass:
264.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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