| CAS Number | 1797982-93-4 |
| Catalog Number | AG01E39W(AGN-PC-0WOZ0O) |
| Chemical Name | 2-Amino-9-(((2-chloroallyl)oxy)methyl)-3H-purin-6(9H)-one |
| IUPAC Name | 2-amino-9-(2-chloroprop-2-enoxymethyl)-1H-purin-6-one |
| InChI | InChI=1S/C9H10ClN5O2/c1-5(10)2-17-4-15-3-12-6-7(15)13-9(11)14-8(6)16/h3H,1-2,4H2,(H3,11,13,14,16) |
| InChI Key | SEORDVRCKCNEQT-UHFFFAOYSA-N |
| Molecular Formula | C9H10ClN5O2 |
| Molecular Weight | 255.6610 |
| SMILES | NC1=NC(C=2N=CN(C2N1)COCC(=C)Cl)=O |
| UNII | 714PGJ743E |
| Synonyms | 1797982-93-4,
9-[[2-Chloroprop-2-en-1-yl)oxy]methyl]guanine,
UNII-714PGJ743E,
714PGJ743E,
Gancyclovir Impurity A,
SEORDVRCKCNEQT-UHFFFAOYSA-N,
CS-O-14083,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.662g/mol |
| Monoisotopic Mass | 255.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number