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52522-99-3 | 5-Iodo-2,4-dimethoxypyrimidine
CAS No: 52522-99-3 Catalog No: AG0034AH MDL No:MFCD00090865
Product Description
Catalog Number:
AG0034AH
Chemical Name:
5-Iodo-2,4-dimethoxypyrimidine
CAS Number:
52522-99-3
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
MDL Number:
MFCD00090865
IUPAC Name:
5-iodo-2,4-dimethoxypyrimidine
InChI:
InChI=1S/C6H7IN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChI Key:
KNTMOGOYRYYUIE-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)OC)I
NSC Number:
97838
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.038g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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