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1308255-98-2 | Benzeneacetic acid, 3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester
CAS No: 1308255-98-2 Catalog No: AG000UZB MDL No:
Product Description
Catalog Number:
AG000UZB
Chemical Name:
Benzeneacetic acid, 3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester
CAS Number:
1308255-98-2
Molecular Formula:
C11H10F3NO3
Molecular Weight:
261.1972
IUPAC Name:
methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetate
InChI:
InChI=1S/C11H10F3NO3/c1-18-9(16)6-7-3-2-4-8(5-7)15-10(17)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChI Key:
SFWBJRQSGXIGIP-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)NC(=O)C(F)(F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.2g/mol
Monoisotopic Mass:
261.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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