| CAS Number | 648449-06-3 |
| Catalog Number | AG00IBEY(AGN-PC-0BV1B7) |
| Chemical Name | (4-Chloroquinazolin-6-yl)methanol |
| IUPAC Name | (4-chloroquinazolin-6-yl)methanol |
| InChI | InChI=1S/C9H7ClN2O/c10-9-7-3-6(4-13)1-2-8(7)11-5-12-9/h1-3,5,13H,4H2 |
| InChI Key | CHZDSSMEEPYADX-UHFFFAOYSA-N |
| MDL Number | MFCD20039799 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | OCc1ccc2c(c1)c(Cl)ncn2 |
| Synonyms | (4-chloroquinazolin-6-yl)methanol,
648449-06-3,
6-Quinazolinemethanol, 4-chloro-,
SCHEMBL496868,
4-chloroquinazoline-6yl methanol,
CTK2A2334,
DTXSID70726765,
4-chloroquinazoline-6-yl methanol,
4-chloroquinazoline-6-yl-methanol,
CHZDSSMEEPYADX-UHFFFAOYSA-N,
MFCD20039799,
ZINC90727986,
4-Chloro-6-(hydroxymethyl)quinazoline,
DA-04727,
FT-0728038,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number