| CAS Number | 1172851-61-4 |
| Catalog Number | AG000E1F(AGN-PC-0WR3NX) |
| Chemical Name | Quinazoline, 4-chloro-6-iodo-7-methoxy- |
| IUPAC Name | 4-chloro-6-iodo-7-methoxyquinazoline |
| InChI | InChI=1S/C9H6ClIN2O/c1-14-8-3-7-5(2-6(8)11)9(10)13-4-12-7/h2-4H,1H3 |
| InChI Key | VGUHUPXWUUVYHC-UHFFFAOYSA-N |
| MDL Number | MFCD12973651 |
| Molecular Formula | C9H6ClIN2O |
| Molecular Weight | 320.5142 |
| SMILES | COC1=CC2=NC=NC(Cl)=C2C=C1I |
| Synonyms | 4-chloro-6-iodo-7-methoxyquinazoline,
1172851-61-4,
SCHEMBL856568,
VGUHUPXWUUVYHC-UHFFFAOYSA-N,
ZINC44124259,
AKOS030528764,
FCH1379075,
Quinazoline,4-chloro-6-iodo-7-methoxy-,
4-chloro-6-iodo-7-(methyloxy)quinazoline,
Quinazoline, 4-chloro-6-iodo-7-methoxy-,
CS-0061922,
4-Chloro-6-iodo-7-methoxy-quinazoline,
ACN-045623,
C3130,
C19261,
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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 | 319.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.514g/mol |
| Monoisotopic Mass | 319.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number