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881650-26-6 | Thiophene, 3-bromo-4-(3,3-dimethyl-1-butynyl)-
CAS No: 881650-26-6 Catalog No: AG004H1U MDL No:
Product Description
Catalog Number:
AG004H1U
Chemical Name:
Thiophene, 3-bromo-4-(3,3-dimethyl-1-butynyl)-
CAS Number:
881650-26-6
Molecular Formula:
C10H11BrS
Molecular Weight:
243.1633
IUPAC Name:
3-bromo-4-(3,3-dimethylbut-1-ynyl)thiophene
InChI:
InChI=1S/C10H11BrS/c1-10(2,3)5-4-8-6-12-7-9(8)11/h6-7H,1-3H3
InChI Key:
GAUZDUPGCMIQPB-UHFFFAOYSA-N
SMILES:
CC(C#Cc1cscc1Br)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.162g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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