| CAS Number | 1818847-70-9 |
| Catalog Number | AG00236X(AGN-PC-0WNGQZ) |
| Chemical Name | 1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-1-methyl-2-oxo-, methyl ester |
| IUPAC Name | methyl 6-bromo-1-methyl-2-oxo-3H-indole-4-carboxylate |
| InChI | InChI=1S/C11H10BrNO3/c1-13-9-4-6(12)3-8(11(15)16-2)7(9)5-10(13)14/h3-4H,5H2,1-2H3 |
| InChI Key | BYFDSFCWFJNDJL-UHFFFAOYSA-N |
| MDL Number | MFCD29060180 |
| Molecular Formula | C11H10BrNO3 |
| Molecular Weight | 284.1060 |
| SMILES | O=C(C1=CC(Br)=CC2=C1CC(N2C)=O)OC |
| Synonyms | 1818847-70-9,
Methyl 6-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indole-4-carboxylate,
Methyl 6-bromo-1-methyl-2-oxoindoline-4-carboxylate,
KS-000005BX,
MFCD29060180,
ZINC306145339,
AS-52701,
CS-0048945,
methyl 6-bromo-1-methyl-2-oxo-3H-indole-4-carboxylate,
methyl 6?bromo?1?methyl?2?oxo?2,3?dihydro?1H?indole?4?carboxylate,
1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-1-methyl-2-oxo-, methyl ester,
methyl 6bromo1methyl2oxo2,3dihydro1Hindole4carboxylate,
na,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.109g/mol |
| Monoisotopic Mass | 282.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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