Home Halogens 2-bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole

2-bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole

CAS No.:
1339415-01-8
Catalog Number:
AG01AFYR
Molecular Formula:
C4H2BrF3N2S
Molecular Weight:
247.0363
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Product Description
Catalog Number:
AG01AFYR
Chemical Name:
2-bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole
CAS Number:
1339415-01-8
Molecular Formula:
C4H2BrF3N2S
Molecular Weight:
247.0363
MDL Number:
MFCD18345109
IUPAC Name:
2-bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C4H2BrF3N2S/c5-3-10-9-2(11-3)1-4(6,7)8/h1H2
InChI Key:
RDYMXCAGPMNNQH-UHFFFAOYSA-N
SMILES:
FC(Cc1nnc(s1)Br)(F)F
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.907g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.033g/mol
Monoisotopic Mass:
245.907g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties