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82424-57-5 | "methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate"
CAS No: 82424-57-5 Catalog No: AG01FMC0 MDL No:MFCD19705600
Product Description
Catalog Number:
AG01FMC0
Chemical Name:
"methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate"
CAS Number:
82424-57-5
Molecular Formula:
C11H9FN2O2S
Molecular Weight:
252.2648
MDL Number:
MFCD19705600
IUPAC Name:
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
InChI:
InChI=1S/C11H9FN2O2S/c1-16-11(15)10-8(13)9(14-17-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3
InChI Key:
UUXZEJCXBIBGMH-UHFFFAOYSA-N
SMILES:
COC(=O)c1snc(c1N)c1ccc(cc1)F
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.263g/mol
Monoisotopic Mass:
252.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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