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86854-60-6 | Pyrimidine, 5-(bromoethynyl)-4-iodo-6-methoxy-
CAS No: 86854-60-6 Catalog No: AG004IQ1 MDL No:MFCD25968110
Product Description
Catalog Number:
AG004IQ1
Chemical Name:
Pyrimidine, 5-(bromoethynyl)-4-iodo-6-methoxy-
CAS Number:
86854-60-6
Molecular Formula:
C7H4BrIN2O
Molecular Weight:
338.9279
MDL Number:
MFCD25968110
IUPAC Name:
5-(2-bromoethynyl)-4-iodo-6-methoxypyrimidine
InChI:
InChI=1S/C7H4BrIN2O/c1-12-7-5(2-3-8)6(9)10-4-11-7/h4H,1H3
InChI Key:
OYKAQEHFYUSMPE-UHFFFAOYSA-N
SMILES:
BrC#Cc1c(I)ncnc1OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.855g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.93g/mol
Monoisotopic Mass:
337.855g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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