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1803831-09-5 | Methyl 3-fluoro-4-(trifluoromethoxy)benzoate
CAS No: 1803831-09-5 Catalog No: AG01FGWH MDL No:
Product Description
Catalog Number:
AG01FGWH
Chemical Name:
Methyl 3-fluoro-4-(trifluoromethoxy)benzoate
CAS Number:
1803831-09-5
IUPAC Name:
methyl 3-fluoro-4-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H6F4O3/c1-15-8(14)5-2-3-7(6(10)4-5)16-9(11,12)13/h2-4H,1H3
InChI Key:
PCXZKNUCZKRCDQ-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.138g/mol
Monoisotopic Mass:
238.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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