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166591-55-5

166591-55-5 | 3-Thiophenecarboxaldehyde, 4-bromo-2-propyl-

CAS No: 166591-55-5 Catalog No: AG001WU8 MDL No:

Product Description

Catalog Number:
AG001WU8
Chemical Name:
3-Thiophenecarboxaldehyde, 4-bromo-2-propyl-
CAS Number:
166591-55-5
Molecular Formula:
C8H9BrOS
Molecular Weight:
233.1255
IUPAC Name:
4-bromo-2-propylthiophene-3-carbaldehyde
InChI:
InChI=1S/C8H9BrOS/c1-2-3-8-6(4-10)7(9)5-11-8/h4-5H,2-3H2,1H3
InChI Key:
ZLOSRSNDUDJNMF-UHFFFAOYSA-N
SMILES:
CCCc1scc(c1C=O)Br

Properties

Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.956g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.123g/mol
Monoisotopic Mass:
231.956g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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