| CAS Number | 1090903-69-7 |
| Catalog Number | AG00HBAF(AGN-PC-0WBSJN) |
| Chemical Name | Methyl 6-Bromo-2-oxoindoline-4-carboxylate |
| IUPAC Name | methyl 6-bromo-2-oxo-1,3-dihydroindole-4-carboxylate |
| InChI | InChI=1S/C10H8BrNO3/c1-15-10(14)7-2-5(11)3-8-6(7)4-9(13)12-8/h2-3H,4H2,1H3,(H,12,13) |
| InChI Key | CPVGDRPQDRGFKS-UHFFFAOYSA-N |
| MDL Number | MFCD26744232 |
| Molecular Formula | C10H8BrNO3 |
| Molecular Weight | 270.0794 |
| SMILES | BrC=1C=C(C=2CC(NC2C1)=O)C(=O)OC |
| Synonyms | 1090903-69-7,
Methyl 6-bromo-2-oxoindoline-4-carboxylate,
methyl 6-bromo-2-oxo-2,3-dihydro-1h-indole-4-carboxylate,
Methyl 6-bromo-2-oxo-indoline-4-carboxylate,
SCHEMBL2309393,
CPVGDRPQDRGFKS-UHFFFAOYSA-N,
KS-000005DJ,
MFCD26744232,
AKOS025396099,
ZINC118609116,
AS-52702,
CS-0048942,
methyl 6-bromo-2-oxo-1,3-dihydroindole-4-carboxylate,
Z2301438529,
6-Bromo-2-oxo-2,3-dihydro-1H-indole-4-carboxylic acid methyl ester,
methyl 6bromo2oxo2,3dihydro1hindole4carboxylate,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.082g/mol |
| Monoisotopic Mass | 268.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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