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56844-40-7 | 6-Bromo-1H-thieno[2,3-d]pyrimidin-4-one
CAS No: 56844-40-7 Catalog No: AG003N52 MDL No:MFCD09746332
Product Description
Catalog Number:
AG003N52
Chemical Name:
6-Bromo-1H-thieno[2,3-d]pyrimidin-4-one
CAS Number:
56844-40-7
Molecular Formula:
C6H3BrN2OS
Molecular Weight:
231.0698
MDL Number:
MFCD09746332
IUPAC Name:
6-bromo-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H3BrN2OS/c7-4-1-3-5(10)8-2-9-6(3)11-4/h1-2H,(H,8,9,10)
InChI Key:
WIURMUHBQYODCB-UHFFFAOYSA-N
SMILES:
Brc1sc2c(c1)c(=O)nc[nH]2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.915g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.067g/mol
Monoisotopic Mass:
229.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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