Home Halogens 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propan-2-one

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propan-2-one

CAS No.:
400077-39-6
Catalog Number:
AG01BUUH
Molecular Formula:
C9H7ClF3NO
Molecular Weight:
237.6062
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Product Description
Catalog Number:
AG01BUUH
Chemical Name:
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propan-2-one
CAS Number:
400077-39-6
Molecular Formula:
C9H7ClF3NO
Molecular Weight:
237.6062
MDL Number:
MFCD01316884
IUPAC Name:
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propan-2-one
InChI:
InChI=1S/C9H7ClF3NO/c1-5(15)2-8-7(10)3-6(4-14-8)9(11,12)13/h3-4H,2H2,1H3
InChI Key:
XREGOVGEGARKIK-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.606g/mol
Monoisotopic Mass:
237.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties