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19075-47-9 | 7-BROMO-BENZO[B]THIOPHENE-2-CARBALDEHYDE
CAS No: 19075-47-9 Catalog No: AG01BSC2 MDL No:MFCD17169310
Product Description
Catalog Number:
AG01BSC2
Chemical Name:
7-BROMO-BENZO[B]THIOPHENE-2-CARBALDEHYDE
CAS Number:
19075-47-9
Molecular Formula:
C9H5BrOS
Molecular Weight:
241.1044
MDL Number:
MFCD17169310
IUPAC Name:
7-bromo-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H5BrOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-5H
InChI Key:
QHOXBUGMGGJMAY-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)c(Br)ccc2
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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