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1279872-89-7 | 7H-Pyrrolo[2,3-d]pyrimidine, 7-(phenylsulfonyl)-
CAS No: 1279872-89-7 Catalog No: AG000XN2 MDL No:MFCD27987376
Product Description
Catalog Number:
AG000XN2
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 7-(phenylsulfonyl)-
CAS Number:
1279872-89-7
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
MDL Number:
MFCD27987376
IUPAC Name:
7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C12H9N3O2S/c16-18(17,11-4-2-1-3-5-11)15-7-6-10-8-13-9-14-12(10)15/h1-9H
InChI Key:
KRDVTTFTHMIQDI-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1ccc2c1ncnc2)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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