| CAS Number | 630422-99-0 |
| Catalog Number | AG00IB52(AGN-PC-03H96R) |
| Chemical Name | 1-chloro-7-fluoro-6-methoxy-isoquinoline |
| IUPAC Name | 1-chloro-7-fluoro-6-methoxyisoquinoline |
| InChI | InChI=1S/C10H7ClFNO/c1-14-9-4-6-2-3-13-10(11)7(6)5-8(9)12/h2-5H,1H3 |
| InChI Key | PKGOAHVKZIEDOX-UHFFFAOYSA-N |
| MDL Number | MFCD21876101 |
| Molecular Formula | C10H7ClFNO |
| Molecular Weight | 211.6201 |
| SMILES | COC1=C(F)C=C2C(C=CN=C2Cl)=C1 |
| Synonyms | 630422-99-0,
1-chloro-7-fluoro-6-methoxyisoquinoline,
1-CHLORO-7-FLUORO-6-METHOXY-ISOQUINOLINE,
Isoquinoline, 1-chloro-7-fluoro-6-methoxy-,
SCHEMBL1536600,
DTXSID50619525,
PKGOAHVKZIEDOX-UHFFFAOYSA-N,
MFCD21876101,
ZINC71482459,
AS-38992,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.62g/mol |
| Monoisotopic Mass | 211.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^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