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141761-77-5 | Thiazole, 4-bromo-2-(trifluoromethyl)-
CAS No: 141761-77-5 Catalog No: AG001GZT MDL No:MFCD14702758
Product Description
Catalog Number:
AG001GZT
Chemical Name:
Thiazole, 4-bromo-2-(trifluoromethyl)-
CAS Number:
141761-77-5
Molecular Formula:
C4HBrF3NS
Molecular Weight:
232.0216
MDL Number:
MFCD14702758
IUPAC Name:
4-bromo-2-(trifluoromethyl)-1,3-thiazole
InChI:
InChI=1S/C4HBrF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChI Key:
JWIFAKPFCFVBQD-UHFFFAOYSA-N
SMILES:
FC(c1scc(n1)Br)(F)F
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.897g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.018g/mol
Monoisotopic Mass:
230.897g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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