Home Halogens 3-bromo-2-(tert-butyl)-5-methylthiophene

3-bromo-2-(tert-butyl)-5-methylthiophene

CAS No.:
36880-45-2
Catalog Number:
AG01DKHJ
Molecular Formula:
C9H13BrS
Molecular Weight:
233.1685
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Product Description
Catalog Number:
AG01DKHJ
Chemical Name:
3-bromo-2-(tert-butyl)-5-methylthiophene
CAS Number:
36880-45-2
Molecular Formula:
C9H13BrS
Molecular Weight:
233.1685
MDL Number:
MFCD31652529
IUPAC Name:
3-bromo-2-tert-butyl-5-methylthiophene
InChI:
InChI=1S/C9H13BrS/c1-6-5-7(10)8(11-6)9(2,3)4/h5H,1-4H3
InChI Key:
XWGKJFMNZDKARP-UHFFFAOYSA-N
SMILES:
Cc1cc(c(s1)C(C)(C)C)Br
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.992g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.167g/mol
Monoisotopic Mass:
231.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties