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906092-45-3 | 4-iodo-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
CAS No: 906092-45-3 Catalog No: AG00IG8F MDL No:MFCD09907940
Product Description
Catalog Number:
AG00IG8F
Chemical Name:
4-iodo-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
906092-45-3
Molecular Formula:
C13H10IN3O2S
Molecular Weight:
399.2069
MDL Number:
MFCD09907940
IUPAC Name:
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C13H10IN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3
InChI Key:
KLDSFRZUPGWQCX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1ncnc2I
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.954g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.206g/mol
Monoisotopic Mass:
398.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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