| CAS Number | 37527-48-3 |
| Catalog Number | AG01DZA7(AGN-PC-0O9GLH) |
| Chemical Name | 6-chloro-8,9-dihydro-7H-purin-8-one |
| IUPAC Name | 6-chloro-7,9-dihydropurin-8-one |
| InChI | InChI=1S/C5H3ClN4O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H2,7,8,9,10,11) |
| InChI Key | DCOLIWSXJIHGOF-UHFFFAOYSA-N |
| MDL Number | MFCD12755941 |
| Molecular Formula | C5H3ClN4O |
| Molecular Weight | 170.5565 |
| SMILES | ClC1=C2NC(NC2=NC=N1)=O |
| Synonyms | 6-CHLORO-7H-PURIN-8(9H)-ONE,
37527-48-3,
6-Chloro-7H-purin-8-ol,
6-Chloro-9H-purin-8-ol,
SCHEMBL1002106,
DCOLIWSXJIHGOF-UHFFFAOYSA-N,
6-chloro-7,9-dihydropurin-8-one,
6-chloro-7,9-dihydro-purin-8-one,
AB65940,
8H-Purin-8-one, 6-chloro-7,9-dihydro-,
AJ-133789,
N/A,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.556g/mol |
| Monoisotopic Mass | 170g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number