2-Bromo-3-butylthiophene

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Catalog Number
ACM145543824
Product Name
2-Bromo-3-butylthiophene
Structure
Structure
CAS
145543-82-4
Category
Thiophenes
Synonyms
Thiophene,2-Bromo-3-Butyl-; Thiophene, 2-Bromo-3-Butyl-
IUPAC Name
2-bromo-3-butylthiophene
Molecular Weight
219.14g/mol
Molecular Formula
C8H11BrS
Canonical SMILES
CCCCC1=C(SC=C1)Br
InChI
InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3
InChI Key
KNBLITSBUDZSJW-UHFFFAOYSA-N
Boiling Point
59 °C
Density
1.36 g/mL at 25 °C(lit.)
Appearance
Very Pale Yellow - Yellow Clear Liquid
Complexity
95.3
Covalently-Bonded Unit Count
1
Exact Mass
217.97648g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
10
Monoisotopic Mass
217.97648g/mol
Rotatable Bond Count
3
XLogP3
4.5
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