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246232-37-1 | 4H-Cyclopenta[c]thiophene-4,6(5H)-dione, 1,3-dibromo-
CAS No: 246232-37-1 Catalog No: AG002OUH MDL No:
Product Description
Catalog Number:
AG002OUH
Chemical Name:
4H-Cyclopenta[c]thiophene-4,6(5H)-dione, 1,3-dibromo-
CAS Number:
246232-37-1
Molecular Formula:
C7H2Br2O2S
Molecular Weight:
309.9626
IUPAC Name:
1,3-dibromocyclopenta[c]thiophene-4,6-dione
InChI:
InChI=1S/C7H2Br2O2S/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h1H2
InChI Key:
BZERWMXWDMMPRJ-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)c2c1c(Br)sc2Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.812g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.959g/mol
Monoisotopic Mass:
307.814g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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