4-Thiazolecarboxaldehyde, 2-(trifluoromethyl)-


Chemical Name: 4-Thiazolecarboxaldehyde, 2-(trifluoromethyl)-
CAS Number: 133046-48-7
Product Number: AG0011KC(AGN-PC-02M8W8)
Synonyms:
MDL No:
Molecular Formula: C5H2F3NOS
Molecular Weight: 181.1357

Identification/Properties


Computed Properties
Molecular Weight:
181.132g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
180.981g/mol
Monoisotopic Mass:
180.981g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
160
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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