| CAS Number | 176912-29-1 |
| Catalog Number | AG0024ZG(AGN-PC-0WCY4L) |
| Chemical Name | 4-(Bromomethyl)-8-fluoroquinolin-2(1H)-one |
| IUPAC Name | 4-(bromomethyl)-8-fluoro-1H-quinolin-2-one |
| InChI | InChI=1S/C10H7BrFNO/c11-5-6-4-9(14)13-10-7(6)2-1-3-8(10)12/h1-4H,5H2,(H,13,14) |
| InChI Key | ZYDYBCDPBZBCEM-UHFFFAOYSA-N |
| MDL Number | MFCD18711491 |
| Molecular Formula | C10H7BrFNO |
| Molecular Weight | 256.0711 |
| SMILES | FC1=C2NC(=O)C=C(CBr)C2=CC=C1 |
| Synonyms | 4-(BROMOMETHYL)-8-FLUOROQUINOLIN-2(1H)-ONE,
176912-29-1,
2(1H)-Quinolinone, 4-(bromomethyl)-8-fluoro-,
SCHEMBL3949025,
DTXSID70655309,
ZYDYBCDPBZBCEM-UHFFFAOYSA-N,
MFCD18711491,
ZINC66054810,
AKOS023384945,
FCH1342216,
4-(bromomethyl)-8-fluoroquinolin-2-ol,
AS-35788,
AB0073786,
AX8266536,
X-2536,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.074g/mol |
| Monoisotopic Mass | 254.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number