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Home > Aldehydes > 919360-31-9
919360-31-9 | Benzaldehyde, 4-(methylthio)-3-(trifluoromethyl)-
CAS No: 919360-31-9 Catalog No: AG0066U5 MDL No:
Product Description
Catalog Number:
AG0066U5
Chemical Name:
Benzaldehyde, 4-(methylthio)-3-(trifluoromethyl)-
CAS Number:
919360-31-9
Molecular Formula:
C9H7F3OS
Molecular Weight:
220.2115
IUPAC Name:
4-methylsulfanyl-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3OS/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-5H,1H3
InChI Key:
DZGZYHTXLZMSCV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1C(F)(F)F)C=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.209g/mol
Monoisotopic Mass:
220.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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