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93249-46-8 | Benzaldehyde, 2-hydroxy-5-[(trifluoromethyl)thio]-
CAS No: 93249-46-8 Catalog No: AG0064P2 MDL No:
Product Description
Catalog Number:
AG0064P2
Chemical Name:
Benzaldehyde, 2-hydroxy-5-[(trifluoromethyl)thio]-
CAS Number:
93249-46-8
Molecular Formula:
C8H5F3O2S
Molecular Weight:
222.1843
IUPAC Name:
2-hydroxy-5-(trifluoromethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H
InChI Key:
RREZTHNJEBHXHJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1O)SC(F)(F)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.181g/mol
Monoisotopic Mass:
221.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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