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115093-90-8 | 7H-Pyrrolo[2,3-d]pyrimidine, 4,5-dichloro-
CAS No: 115093-90-8 Catalog No: AG000FW7 MDL No:MFCD09999173
Product Description
Catalog Number:
AG000FW7
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4,5-dichloro-
CAS Number:
115093-90-8
Molecular Formula:
C6H3Cl2N3
Molecular Weight:
188.0141
MDL Number:
MFCD09999173
IUPAC Name:
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H3Cl2N3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChI Key:
VFTPONHUNNOSKG-UHFFFAOYSA-N
SMILES:
Clc1c[nH]c2c1c(Cl)ncn2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.011g/mol
Monoisotopic Mass:
186.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 5-Chloro-N-[2-(1H-imidazol-4-yl)eth-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine. | Acta crystallographica. Section E, Structure reports online 20100101 |
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