5,7-difluoro-1,3-benzothiazol-2-amine


Chemical Name: 5,7-difluoro-1,3-benzothiazol-2-amine
CAS Number: 788124-34-5
Product Number: AG00G4KE(AGN-PC-003IX7)
Synonyms:
MDL No:
Molecular Formula: C7H4F2N2S
Molecular Weight: 186.1819

Identification/Properties


Computed Properties
Molecular Weight:
186.18g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
186.006g/mol
Monoisotopic Mass:
186.006g/mol
Topological Polar Surface Area:
67.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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