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Home > Aldehydes > 1823346-47-9
1823346-47-9 | 5-Thiazolecarboxaldehyde, 2-bromo-4-(trifluoromethyl)-
CAS No: 1823346-47-9 Catalog No: AG0023O4 MDL No:
Product Description
Catalog Number:
AG0023O4
Chemical Name:
5-Thiazolecarboxaldehyde, 2-bromo-4-(trifluoromethyl)-
CAS Number:
1823346-47-9
Molecular Formula:
C5HBrF3NOS
Molecular Weight:
260.0317
IUPAC Name:
2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C5HBrF3NOS/c6-4-10-3(5(7,8)9)2(1-11)12-4/h1H
InChI Key:
WADGMOLWQJWYOW-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1C(F)(F)F)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.891g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.028g/mol
Monoisotopic Mass:
258.891g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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