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91416-96-5 | 5-Iodopyrimidin-4-amine
CAS No: 91416-96-5 Catalog No: AG006N7H MDL No:MFCD09999223
Product Description
Catalog Number:
AG006N7H
Chemical Name:
5-Iodopyrimidin-4-amine
CAS Number:
91416-96-5
Molecular Formula:
C4H4IN3
Molecular Weight:
220.9991
MDL Number:
MFCD09999223
IUPAC Name:
5-iodopyrimidin-4-amine
InChI:
InChI=1S/C4H4IN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChI Key:
HTBFTDHEWCRQPJ-UHFFFAOYSA-N
SMILES:
Ic1cncnc1N
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.945g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.001g/mol
Monoisotopic Mass:
220.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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