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1239460-82-2 | Thieno[2,3-d]pyrimidin-4(1H)-one, 5,6-dibromo-
CAS No: 1239460-82-2 Catalog No: AG000L98 MDL No:
Product Description
Catalog Number:
AG000L98
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 5,6-dibromo-
CAS Number:
1239460-82-2
Molecular Formula:
C6H2Br2N2OS
Molecular Weight:
309.9659
IUPAC Name:
5,6-dibromo-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H2Br2N2OS/c7-3-2-5(11)9-1-10-6(2)12-4(3)8/h1H,(H,9,10,11)
InChI Key:
VPUOHESABWTXNI-UHFFFAOYSA-N
SMILES:
Brc1sc2c(c1Br)c(=O)nc[nH]2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.823g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.963g/mol
Monoisotopic Mass:
307.825g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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