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93425-02-6 | 2-bromo-5-(tert-butyl)thiophene
CAS No: 93425-02-6 Catalog No: AG006FXX MDL No:MFCD18911054
Product Description
Catalog Number:
AG006FXX
Chemical Name:
2-bromo-5-(tert-butyl)thiophene
CAS Number:
93425-02-6
Molecular Formula:
C8H11BrS
Molecular Weight:
219.1419
MDL Number:
MFCD18911054
IUPAC Name:
2-bromo-5-tert-butylthiophene
InChI:
InChI=1S/C8H11BrS/c1-8(2,3)6-4-5-7(9)10-6/h4-5H,1-3H3
InChI Key:
HTEIRRKBIRSBIZ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(s1)Br)(C)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.14g/mol
Monoisotopic Mass:
217.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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