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161489-05-0 | 4-IODO-6-METHOXYPYRIMIDINE
CAS No: 161489-05-0 Catalog No: AG00AP49 MDL No:MFCD07787396
Product Description
Catalog Number:
AG00AP49
Chemical Name:
4-IODO-6-METHOXYPYRIMIDINE
CAS Number:
161489-05-0
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD07787396
IUPAC Name:
4-iodo-6-methoxypyrimidine
InChI:
InChI=1S/C5H5IN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChI Key:
QDBUDQCGLQIPKI-UHFFFAOYSA-N
SMILES:
COc1cc(I)ncn1
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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