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321553-53-1 | 5-(4-tert-Butylbenzylthio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde
CAS No: 321553-53-1 Catalog No: AG01FGD2 MDL No:
Product Description
Catalog Number:
AG01FGD2
Chemical Name:
5-(4-tert-Butylbenzylthio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde
CAS Number:
321553-53-1
IUPAC Name:
5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C17H19F3N2OS/c1-16(2,3)12-7-5-11(6-8-12)10-24-15-13(9-23)14(17(18,19)20)21-22(15)4/h5-9H,10H2,1-4H3
InChI Key:
NZQDHMCRZUUAGT-UHFFFAOYSA-N
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.407g/mol
Monoisotopic Mass:
356.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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