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4-(4-bromophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine hydrobromide

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摘 要: 4-(4-bromophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine hydrobromide,Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)F)Br.Br,InChI: InChI=1/C15H10BrFN2S.BrH/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-,5-12(17)6-8-13;/h1-9H,(H,18,19);1H/f/
[Synonyms]

[Structure]
 4-(4-bromophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine hydrobromide

[ Properties Computed from Structure]
Molecular Weight430.132643 [g/mol]
Molecular FormulaC15H11Br2FN2S
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count2
Exact Mass429.897326
MonoIsotopic Mass427.899372
Topological Polar Surface Area24.9
Heavy Atom Count21
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: 4-(4-bromophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine hydrobromide
Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)F)Br.Br
InChI: InChI=1/C15H10BrFN2S.BrH/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-
5-12(17)6-8-13;/h1-9H,(H,18,19);1H/f/h18H;

 
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