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1261751-37-4 | Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-, ethyl ester
CAS No: 1261751-37-4 Catalog No: AG000RZY MDL No:
Product Description
Catalog Number:
AG000RZY
Chemical Name:
Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-, ethyl ester
CAS Number:
1261751-37-4
Molecular Formula:
C11H11F3O3
Molecular Weight:
248.1984
IUPAC Name:
ethyl 2-[4-(difluoromethoxy)-3-fluorophenyl]acetate
InChI:
InChI=1S/C11H11F3O3/c1-2-16-10(15)6-7-3-4-9(8(12)5-7)17-11(13)14/h3-5,11H,2,6H2,1H3
InChI Key:
KIASIJFOGBJSKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)F)OC(F)F
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.201g/mol
Monoisotopic Mass:
248.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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