| CAS Number | 444898-84-4 |
| Catalog Number | AG00DL97(AGN-PC-0WCXSD) |
| Chemical Name | 1(2H)-Isoquinolinone,8-fluoro-(9CI) |
| IUPAC Name | 8-fluoro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H6FNO/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,(H,11,12) |
| InChI Key | HPZLBFWUSRABGH-UHFFFAOYSA-N |
| MDL Number | MFCD16987827 |
| Molecular Formula | C9H6FNO |
| Molecular Weight | 163.1484 |
| SMILES | O=C1NC=CC2=C1C(F)=CC=C2 |
| Synonyms | 444898-84-4,
8-Fluoroisoquinolin-1(2H)-one,
8-fluoroisoquinolin-1-ol,
8-fluoro-2H-isoquinolin-1-one,
AK174484,
SCHEMBL6798992,
8-fluoro-1(2H)-isoquinolinone,
1(2h)-isoquinolinone,8-fluoro-,
8-Fluoroisoquinoline-1(2H)-one,
MFCD21876055,
ZINC39089001,
FCH1147635,
AS-39985,
AX8312312,
1(2H)-Isoquinolinone,8-fluoro-(9CI),
1(2H)-Isoquinolinone, 8-fluoro- (9CI),
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.151g/mol |
| Monoisotopic Mass | 163.043g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number