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19075-53-7 | Benzo[b]thiophene-3-carboxaldehyde, 6-bromo-
CAS No: 19075-53-7 Catalog No: AG002ERU MDL No:MFCD25542199
Product Description
Catalog Number:
AG002ERU
Chemical Name:
Benzo[b]thiophene-3-carboxaldehyde, 6-bromo-
CAS Number:
19075-53-7
Molecular Formula:
C9H5BrOS
Molecular Weight:
241.1044
MDL Number:
MFCD25542199
IUPAC Name:
6-bromo-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C9H5BrOS/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-5H
InChI Key:
PBCQAUIPFVKGOW-UHFFFAOYSA-N
SMILES:
O=Cc1csc2c1ccc(c2)Br
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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