Home Other Building Blocks 4-Bromo-2-(trifluoromethyl)-1-benzothiophene

4-Bromo-2-(trifluoromethyl)-1-benzothiophene

CAS No.:
1609047-47-3
Catalog Number:
AG01DD4E
Molecular Formula:
C9H4BrF3S
Molecular Weight:
281.0923
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Product Description
Catalog Number:
AG01DD4E
Chemical Name:
4-Bromo-2-(trifluoromethyl)-1-benzothiophene
CAS Number:
1609047-47-3
Molecular Formula:
C9H4BrF3S
Molecular Weight:
281.0923
MDL Number:
MFCD24848121
IUPAC Name:
4-bromo-2-(trifluoromethyl)-1-benzothiophene
InChI:
InChI=1S/C9H4BrF3S/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4H
InChI Key:
HFZXZTYVXNZITI-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1cc(s2)C(F)(F)F
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.917g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.09g/mol
Monoisotopic Mass:
279.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties