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942624-06-8 | 2-Iodo-5-methoxypyrazine
CAS No: 942624-06-8 Catalog No: AG005ZMK MDL No:MFCD18412657
Product Description
Catalog Number:
AG005ZMK
Chemical Name:
2-Iodo-5-methoxypyrazine
CAS Number:
942624-06-8
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD18412657
IUPAC Name:
2-iodo-5-methoxypyrazine
InChI:
InChI=1S/C5H5IN2O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
InChI Key:
DKFAIJRBHBVJEZ-UHFFFAOYSA-N
SMILES:
COc1cnc(cn1)I
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:
0.8
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