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Home > Bromides > 1416437-97-2
1416437-97-2 | 4-Thiazoleacetic acid, 5-bromo-2-[4-(trifluoromethoxy)phenyl]-, ethyl ester
CAS No: 1416437-97-2 Catalog No: AG001GRF MDL No:
Product Description
Catalog Number:
AG001GRF
Chemical Name:
4-Thiazoleacetic acid, 5-bromo-2-[4-(trifluoromethoxy)phenyl]-, ethyl ester
CAS Number:
1416437-97-2
Molecular Formula:
C14H11BrF3NO3S
Molecular Weight:
410.2062
IUPAC Name:
ethyl 2-[5-bromo-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]acetate
InChI:
InChI=1S/C14H11BrF3NO3S/c1-2-21-11(20)7-10-12(15)23-13(19-10)8-3-5-9(6-4-8)22-14(16,17)18/h3-6H,2,7H2,1H3
InChI Key:
HEUUWFSJPFDEQG-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc(sc1Br)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.96g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.205g/mol
Monoisotopic Mass:
408.96g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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