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1226808-64-5

1226808-64-5 | Pyridine, 3-bromo-2-(methylthio)-5-(trifluoromethyl)-

CAS No: 1226808-64-5 Catalog No: AG0017M2 MDL No:MFCD16295130

Product Description

Catalog Number:
AG0017M2
Chemical Name:
Pyridine, 3-bromo-2-(methylthio)-5-(trifluoromethyl)-
CAS Number:
1226808-64-5
Molecular Formula:
C7H5BrF3NS
Molecular Weight:
272.0855
MDL Number:
MFCD16295130
IUPAC Name:
3-bromo-2-methylsulfanyl-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H5BrF3NS/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChI Key:
PGEREEIUJMZQTJ-UHFFFAOYSA-N
SMILES:
CSc1ncc(cc1Br)C(F)(F)F

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.928g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.083g/mol
Monoisotopic Mass:
270.928g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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