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1998215-95-4 | 6-Iodo-7h-pyrrolo[2,3-d]pyrimidine
CAS No: 1998215-95-4 Catalog No: AG00I3PQ MDL No:
Product Description
Catalog Number:
AG00I3PQ
Chemical Name:
6-Iodo-7h-pyrrolo[2,3-d]pyrimidine
CAS Number:
1998215-95-4
Molecular Formula:
C6H4IN3
Molecular Weight:
245.0205
IUPAC Name:
6-iodo-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H4IN3/c7-5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,8,9,10)
InChI Key:
BIOGMQOISFIHSS-UHFFFAOYSA-N
SMILES:
Ic1cc2c([nH]1)ncnc2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.023g/mol
Monoisotopic Mass:
244.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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