Home Nitriles 2-(trifluoromethyl)-1,3-benzothiazole-4-carbonitrile

2-(trifluoromethyl)-1,3-benzothiazole-4-carbonitrile

CAS No.:
1909336-26-0
Catalog Number:
AG01C1TL
Molecular Formula:
C9H3F3N2S
Molecular Weight:
228.1937
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Product Description
Catalog Number:
AG01C1TL
Chemical Name:
2-(trifluoromethyl)-1,3-benzothiazole-4-carbonitrile
CAS Number:
1909336-26-0
Molecular Formula:
C9H3F3N2S
Molecular Weight:
228.1937
MDL Number:
MFCD29054894
IUPAC Name:
2-(trifluoromethyl)-1,3-benzothiazole-4-carbonitrile
InChI:
InChI=1S/C9H3F3N2S/c10-9(11,12)8-14-7-5(4-13)2-1-3-6(7)15-8/h1-3H
InChI Key:
IVSOVDHULNFGMF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1nc(s2)C(F)(F)F
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.192g/mol
Monoisotopic Mass:
227.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties