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Home > Bromides > 1053658-57-3
1053658-57-3 | 2-[(4-Bromophenyl)thio]-3-chloro-5-(trifluoromethyl)pyridine
CAS No: 1053658-57-3 Catalog No: AG01F6KV MDL No:
Product Description
Catalog Number:
AG01F6KV
Chemical Name:
2-[(4-Bromophenyl)thio]-3-chloro-5-(trifluoromethyl)pyridine
CAS Number:
1053658-57-3
Molecular Formula:
C12H6BrClF3NS
Molecular Weight:
368.5999
IUPAC Name:
2-(4-bromophenyl)sulfanyl-3-chloro-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C12H6BrClF3NS/c13-8-1-3-9(4-2-8)19-11-10(14)5-7(6-18-11)12(15,16)17/h1-6H
InChI Key:
FMTIQAUSAOPFNI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Sc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.904g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.596g/mol
Monoisotopic Mass:
366.904g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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