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58139-04-1

58139-04-1 | 2-Iodo-3-methoxypyrazine

CAS No: 58139-04-1 Catalog No: AG00EH8D MDL No:MFCD09955597

Product Description

Catalog Number:
AG00EH8D
Chemical Name:
2-Iodo-3-methoxypyrazine
CAS Number:
58139-04-1
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD09955597
IUPAC Name:
2-iodo-3-methoxypyrazine
InChI:
InChI=1S/C5H5IN2O/c1-9-5-4(6)7-2-3-8-5/h2-3H,1H3
InChI Key:
PDMRYBKGSOJHJJ-UHFFFAOYSA-N
SMILES:
COc1nccnc1I

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:
1.5  

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