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1858257-29-0 | Methyl 2,3,5-trifluoro-4-pyrrolidin-1-ylbenzoate
CAS No: 1858257-29-0 Catalog No: AG01FGMW MDL No:
Product Description
Catalog Number:
AG01FGMW
Chemical Name:
Methyl 2,3,5-trifluoro-4-pyrrolidin-1-ylbenzoate
CAS Number:
1858257-29-0
IUPAC Name:
methyl 2,3,5-trifluoro-4-pyrrolidin-1-ylbenzoate
InChI:
InChI=1S/C12H12F3NO2/c1-18-12(17)7-6-8(13)11(10(15)9(7)14)16-4-2-3-5-16/h6H,2-5H2,1H3
InChI Key:
PACARZWPMMMISV-UHFFFAOYSA-N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.228g/mol
Monoisotopic Mass:
259.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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