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1260742-02-6 | Benzoic acid, 4-amino-3-(trifluoromethoxy)-, ethyl ester
CAS No: 1260742-02-6 Catalog No: AG000R46 MDL No:MFCD15527570
Product Description
Catalog Number:
AG000R46
Chemical Name:
Benzoic acid, 4-amino-3-(trifluoromethoxy)-, ethyl ester
CAS Number:
1260742-02-6
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
MDL Number:
MFCD15527570
IUPAC Name:
ethyl 4-amino-3-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C10H10F3NO3/c1-2-16-9(15)6-3-4-7(14)8(5-6)17-10(11,12)13/h3-5H,2,14H2,1H3
InChI Key:
SRDSPOINRBCMRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)OC(F)(F)F)N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.189g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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