| CAS Number | 868145-21-5 |
| Catalog Number | AG00H3NH(AGN-PC-0WG40H) |
| Chemical Name | 3-Bromo-4-(phenylmethoxy)-2(1H)-quinolinone |
| IUPAC Name | 3-bromo-4-phenylmethoxy-1H-quinolin-2-one |
| InChI | InChI=1S/C16H12BrNO2/c17-14-15(20-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-16(14)19/h1-9H,10H2,(H,18,19) |
| InChI Key | BOZPFJAKJQPFGS-UHFFFAOYSA-N |
| MDL Number | MFCD28991815 |
| Molecular Formula | C16H12BrNO2 |
| Molecular Weight | 330.1760 |
| SMILES | C1=CC=C(C=C1)COC2=C(C(=NC3=CC=CC=C32)O)Br |
| Synonyms | 4-(Benzyloxy)-3-bromoquinolin-2-ol,
868145-21-5,
4-(benzyloxy)-3-bromoquinolin-2(1H)-one,
3-bromo-4-phenylmethoxy-1H-quinolin-2-one,
AC1M2JV7,
SCHEMBL14967812,
BOZPFJAKJQPFGS-UHFFFAOYSA-N,
ZINC2706748,
MFCD28991815,
AKOS030225975,
DA-02269,
CS-0036293,
FT-0738860,
AB00675692-01,
ZINC02706748,
CID2145438,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.181g/mol |
| Monoisotopic Mass | 329.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number