Home Nitriles 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

CAS No.:
112146-11-9
Catalog Number:
AG019KMF
Molecular Formula:
C10H5F3N2S
Molecular Weight:
242.2203
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Product Description
Catalog Number:
AG019KMF
Chemical Name:
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
CAS Number:
112146-11-9
Molecular Formula:
C10H5F3N2S
Molecular Weight:
242.2203
MDL Number:
MFCD02073523
IUPAC Name:
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
InChI:
InChI=1S/C10H5F3N2S/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14/h1-2,5H,3H2
InChI Key:
QBZYAWYXEIFDQV-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(s1)ccc(c2)C(F)(F)F
NSC Number:
699713
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.013g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.219g/mol
Monoisotopic Mass:
242.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties