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1379099-99-6 | 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CAS No: 1379099-99-6 Catalog No: AG01B1SN MDL No:MFCD11847036
Product Description
Catalog Number:
AG01B1SN
Chemical Name:
5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CAS Number:
1379099-99-6
Molecular Formula:
C6H4F3NOS
Molecular Weight:
195.1623
MDL Number:
MFCD11847036
IUPAC Name:
5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C6H4F3NOS/c1-3-5(6(7,8)9)10-4(2-11)12-3/h2H,1H3
InChI Key:
WKERDXSCGFQZGS-UHFFFAOYSA-N
SMILES:
O=Cc1sc(c(n1)C(F)(F)F)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.159g/mol
Monoisotopic Mass:
194.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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