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837415-81-3 | Pyrimidine, 5-(5-bromo-2-furanyl)-2,4-diethoxy-
CAS No: 837415-81-3 Catalog No: AG004X1C MDL No:
Product Description
Catalog Number:
AG004X1C
Chemical Name:
Pyrimidine, 5-(5-bromo-2-furanyl)-2,4-diethoxy-
CAS Number:
837415-81-3
Molecular Formula:
C12H13BrN2O3
Molecular Weight:
313.1472
IUPAC Name:
5-(5-bromofuran-2-yl)-2,4-diethoxypyrimidine
InChI:
InChI=1S/C12H13BrN2O3/c1-3-16-11-8(9-5-6-10(13)18-9)7-14-12(15-11)17-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
ZQFPXHIZZHZONV-UHFFFAOYSA-N
SMILES:
CCOc1nc(OCC)ncc1c1ccc(o1)Br
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.151g/mol
Monoisotopic Mass:
312.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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