Home Aldehydes 2-Bromobenzo[b]thiophene-3-carbaldehyde

2-Bromobenzo[b]thiophene-3-carbaldehyde

CAS No.:
39856-98-9
Catalog Number:
AG0076W0
Molecular Formula:
C9H5BrOS
Molecular Weight:
241.1044
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Product Description
Catalog Number:
AG0076W0
Chemical Name:
2-Bromobenzo[b]thiophene-3-carbaldehyde
CAS Number:
39856-98-9
Molecular Formula:
C9H5BrOS
Molecular Weight:
241.1044
MDL Number:
MFCD27996765
IUPAC Name:
2-bromo-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C9H5BrOS/c10-9-7(5-11)6-3-1-2-4-8(6)12-9/h1-5H
InChI Key:
VGDOLCVWJLNMHX-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)sc2c1cccc2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.102g/mol
Monoisotopic Mass:
239.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties