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1431555-26-8 | 2-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-3,3-dimercapto-acrylonitrile
CAS No: 1431555-26-8 Catalog No: AG01FGZ2 MDL No:
Product Description
Catalog Number:
AG01FGZ2
Chemical Name:
2-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-3,3-dimercapto-acrylonitrile
CAS Number:
1431555-26-8
IUPAC Name:
2-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-2-cyanoethanedithioic acid
InChI:
InChI=1S/C9H4ClF3N2S2/c10-6-1-4(9(11,12)13)3-15-7(6)5(2-14)8(16)17/h1,3,15H,(H,16,17)
InChI Key:
BWNQRKMNLXCKCO-UHFFFAOYSA-N
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.71g/mol
Monoisotopic Mass:
295.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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