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Home > Aldehydes > 264924-39-2
264924-39-2 | 2-Pyridinecarboxaldehyde, 3-[(4-chlorophenyl)thio]-5-(trifluoromethyl)-
CAS No: 264924-39-2 Catalog No: AG002TG7 MDL No:
Product Description
Catalog Number:
AG002TG7
Chemical Name:
2-Pyridinecarboxaldehyde, 3-[(4-chlorophenyl)thio]-5-(trifluoromethyl)-
CAS Number:
264924-39-2
Molecular Formula:
C13H7ClF3NOS
Molecular Weight:
317.7140
IUPAC Name:
3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
InChI:
InChI=1S/C13H7ClF3NOS/c14-9-1-3-10(4-2-9)20-12-5-8(13(15,16)17)6-18-11(12)7-19/h1-7H
InChI Key:
BTPJWXKAPZVNAA-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(cc1Sc1ccc(cc1)Cl)C(F)(F)F
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.71g/mol
Monoisotopic Mass:
316.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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