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128619-83-0 | Thiophene, 2-bromo-5-butyl-
CAS No: 128619-83-0 Catalog No: AG000Y82 MDL No:MFCD20486050
Product Description
Catalog Number:
AG000Y82
Chemical Name:
Thiophene, 2-bromo-5-butyl-
CAS Number:
128619-83-0
Molecular Formula:
C8H11BrS
Molecular Weight:
219.1419
MDL Number:
MFCD20486050
IUPAC Name:
2-bromo-5-butylthiophene
InChI:
InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3
InChI Key:
BQPMOWMCGHVEDO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(s1)Br
Properties
Complexity:
95.3
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:
3
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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