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4021-50-5 | 4-[(Trifluoromethyl)thio]benzaldehyde
CAS No: 4021-50-5 Catalog No: AG0035YT MDL No:MFCD00129191
Product Description
Catalog Number:
AG0035YT
Chemical Name:
4-[(Trifluoromethyl)thio]benzaldehyde
CAS Number:
4021-50-5
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
MDL Number:
MFCD00129191
IUPAC Name:
4-(trifluoromethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChI Key:
OPAXHVNZGUGCKW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.182g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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