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Home > Aldehydes > 1956379-59-1
1956379-59-1 | 4-bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CAS No: 1956379-59-1 Catalog No: AG01C77D MDL No:MFCD29058740
Product Description
Catalog Number:
AG01C77D
Chemical Name:
4-bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1956379-59-1
Molecular Formula:
C5HBrF3NOS
Molecular Weight:
260.0317
MDL Number:
MFCD29058740
IUPAC Name:
4-bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C5HBrF3NOS/c6-3-2(1-11)12-4(10-3)5(7,8)9/h1H
InChI Key:
PGMONSGAQHRSDJ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Br)C(F)(F)F
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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