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1445-39-2 | 2-Pyrimidinamine, 5-iodo-
CAS No: 1445-39-2 Catalog No: AG001JNI MDL No:MFCD01075666
Product Description
Catalog Number:
AG001JNI
Chemical Name:
2-Pyrimidinamine, 5-iodo-
CAS Number:
1445-39-2
Molecular Formula:
C4H4IN3
Molecular Weight:
220.9991
MDL Number:
MFCD01075666
IUPAC Name:
5-iodopyrimidin-2-amine
InChI:
InChI=1S/C4H4IN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChI Key:
HAFKCGZQRIIADX-UHFFFAOYSA-N
SMILES:
Ic1cnc(nc1)N
NSC Number:
48224
Properties
Complexity:
69.7
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
Literature
| Title | Journal |
|---|---|
| 5-Iodo-pyrimidin-2-amine. | Acta crystallographica. Section E, Structure reports online 20100601 |
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