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Home > Aldehydes > 131124-29-3
131124-29-3 | Benzo[b]thiophene-5-carboxaldehyde, 4-bromo-
CAS No: 131124-29-3 Catalog No: AG000VK3 MDL No:MFCD27996766
Product Description
Catalog Number:
AG000VK3
Chemical Name:
Benzo[b]thiophene-5-carboxaldehyde, 4-bromo-
CAS Number:
131124-29-3
Molecular Formula:
C9H5BrOS
Molecular Weight:
241.1044
MDL Number:
MFCD27996766
IUPAC Name:
4-bromo-1-benzothiophene-5-carbaldehyde
InChI:
InChI=1S/C9H5BrOS/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-5H
InChI Key:
CQFMNFWJIBYYEW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1Br)ccs2
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:
3.1
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