| CAS Number | 159768-48-6 |
| Catalog Number | AG001RDB(AGN-PC-041Z4K) |
| Chemical Name | Quinazoline, 4-chloro-7-fluoro-6-methoxy- |
| IUPAC Name | 4-chloro-7-fluoro-6-methoxyquinazoline |
| InChI | InChI=1S/C9H6ClFN2O/c1-14-8-2-5-7(3-6(8)11)12-4-13-9(5)10/h2-4H,1H3 |
| InChI Key | XVFCYYAFOCEJSI-UHFFFAOYSA-N |
| MDL Number | MFCD08234562 |
| Molecular Formula | C9H6ClFN2O |
| Molecular Weight | 212.6081 |
| SMILES | COC1=C(C=C2C(=C1)C(=NC=N2)Cl)F |
| Synonyms | 4-Chloro-7-fluoro-6-methoxyquinazoline,
159768-48-6,
4-CHLORO-7-FLUORO-6-METHOXY-QUINAZOLINE,
Quinazoline,4-chloro-7-fluoro-6-methoxy-,
Quinazoline, 4-chloro-7-fluoro-6-methoxy-,
SCHEMBL5650398,
CTK4D0209,
DTXSID90633402,
MFCD08234562,
ZINC95742703,
AKOS015910886,
PB32570,
QC-2513,
4-Chloro-6-methoxy-7-fluoroquinazoline,
AS-50549,
AJ-133715,
CS-0055133,
Q-2886,
I14-39293,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.608g/mol |
| Monoisotopic Mass | 212.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number