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39856-98-9 | 2-Bromobenzo[b]thiophene-3-carbaldehyde
CAS No: 39856-98-9 Catalog No: AG0076W0 MDL No:
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
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
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