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175202-64-9 | Thieno[2,3-b]thiophene-2-carboxaldehyde, 5-bromo-3,4-dimethyl-
CAS No: 175202-64-9 Catalog No: AG0020GY MDL No:
Product Description
Catalog Number:
AG0020GY
Chemical Name:
Thieno[2,3-b]thiophene-2-carboxaldehyde, 5-bromo-3,4-dimethyl-
CAS Number:
175202-64-9
Molecular Formula:
C9H7BrOS2
Molecular Weight:
275.1853
IUPAC Name:
5-bromo-3,4-dimethylthieno[2,3-b]thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H7BrOS2/c1-4-6(3-11)12-9-7(4)5(2)8(10)13-9/h3H,1-2H3
InChI Key:
IYHYLNUZVOCFTO-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1C)c(c(s2)Br)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.912g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.178g/mol
Monoisotopic Mass:
273.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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