| CAS Number | 249737-01-7 |
| Catalog Number | AG002Q1R(AGN-PC-0KL6VM) |
| Chemical Name | 2(1H)-Quinolinone, 3-amino-6,7-dimethoxy-4-(trifluoromethyl)- |
| IUPAC Name | 3-amino-6,7-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C12H11F3N2O3/c1-19-7-3-5-6(4-8(7)20-2)17-11(18)10(16)9(5)12(13,14)15/h3-4H,16H2,1-2H3,(H,17,18) |
| InChI Key | HWKBZAFQRULOJK-UHFFFAOYSA-N |
| MDL Number | MFCD06654745 |
| Molecular Formula | C12H11F3N2O3 |
| Molecular Weight | 288.2225 |
| SMILES | NC=1C(=NC2=CC(=C(C=C2C1C(F)(F)F)OC)OC)O |
| Synonyms | 249737-01-7,
2(1H)-Quinolinone, 3-amino-6,7-dimethoxy-4-(trifluoromethyl)-,
AC1MDR5Z,
SCHEMBL6680406,
3-amino-6,7-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one,
3-Amino-6,7-dimethoxy-4-(trifluoromethyl)quinolin-2-ol,
3-Amino-4-(trifluoromethyl)-6,7-dimethoxyquinoline-2(1H)-one,
3-amino-6,7-dimethoxy-4-(trifluoromethyl)quinolin-2(1H)-one,
CID2794468,
2(1H)-Quinolinone,3-amino-6,7-dimethoxy-4-(trifluoromethyl)-,
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| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.226g/mol |
| Monoisotopic Mass | 288.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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