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1274644-85-7

1274644-85-7 | 2-Thiazolecarboxaldehyde, 4-[4-(trifluoromethyl)phenyl]-

CAS No: 1274644-85-7 Catalog No: AG000X30 MDL No:

Product Description

Catalog Number:
AG000X30
Chemical Name:
2-Thiazolecarboxaldehyde, 4-[4-(trifluoromethyl)phenyl]-
CAS Number:
1274644-85-7
Molecular Formula:
C11H6F3NOS
Molecular Weight:
257.2316
IUPAC Name:
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)9-6-17-10(5-16)15-9/h1-6H
InChI Key:
TXAWFIWWLHYMFW-UHFFFAOYSA-N
SMILES:
O=Cc1scc(n1)c1ccc(cc1)C(F)(F)F

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.23g/mol
Monoisotopic Mass:
257.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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