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17754-05-1

17754-05-1 | 2,1,3-Benzothiadiazole, 5-(trifluoromethyl)-

CAS No: 17754-05-1 Catalog No: AG0025DG MDL No:MFCD00114584

Product Description

Catalog Number:
AG0025DG
Chemical Name:
2,1,3-Benzothiadiazole, 5-(trifluoromethyl)-
CAS Number:
17754-05-1
Molecular Formula:
C7H3F3N2S
Molecular Weight:
204.1723
MDL Number:
MFCD00114584
IUPAC Name:
5-(trifluoromethyl)-2,1,3-benzothiadiazole
InChI:
InChI=1S/C7H3F3N2S/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H
InChI Key:
KUFWKXPZEWUROO-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)nsn2)(F)F

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.997g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.17g/mol
Monoisotopic Mass:
203.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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