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1313712-31-0 | Thieno[3,2-d]pyrimidin-4(3H)-one, 7-bromo-2,6-dimethyl-
CAS No: 1313712-31-0 Catalog No: AG000W08 MDL No:
Product Description
Catalog Number:
AG000W08
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 7-bromo-2,6-dimethyl-
CAS Number:
1313712-31-0
Molecular Formula:
C8H7BrN2OS
Molecular Weight:
259.1230
IUPAC Name:
7-bromo-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C8H7BrN2OS/c1-3-5(9)6-7(13-3)8(12)11-4(2)10-6/h1-2H3,(H,10,11,12)
InChI Key:
SZGLAAAJAIDMRW-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)c2c(n1)c(Br)c(s2)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.121g/mol
Monoisotopic Mass:
257.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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