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132145-24-5 | Propanoic acid, 2-(benzoylimino)-3,3,3-trifluoro-, methyl ester
CAS No: 132145-24-5 Catalog No: AG0010AA MDL No:
Product Description
Catalog Number:
AG0010AA
Chemical Name:
Propanoic acid, 2-(benzoylimino)-3,3,3-trifluoro-, methyl ester
CAS Number:
132145-24-5
Molecular Formula:
C11H8F3NO3
Molecular Weight:
259.1813
IUPAC Name:
methyl 2-benzoylimino-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C11H8F3NO3/c1-18-10(17)8(11(12,13)14)15-9(16)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
AEARDNWRJGFLQS-UHFFFAOYSA-N
SMILES:
COC(=O)C(=NC(=O)c1ccccc1)C(F)(F)F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.184g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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