| CAS Number | 365547-91-7 |
| Catalog Number | AG00I78T(AGN-PC-0JK1GM) |
| Chemical Name | 1H-Indole-3-carboxylic acid, 2-amino-5-chloro-, ethyl ester |
| IUPAC Name | ethyl 2-amino-5-chloro-1H-indole-3-carboxylate |
| InChI | InChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-5-6(12)3-4-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3 |
| InChI Key | AOGFIGLCLLQDIX-UHFFFAOYSA-N |
| MDL Number | MFCD20227802 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | NC=1NC2=CC=C(C=C2C1C(=O)OCC)Cl |
| Synonyms | ETHYL 2-AMINO-5-CHLORO-1H-INDOLE-3-CARBOXYLATE,
365547-91-7,
DTXSID80857256,
MFCD20227802,
ZINC91692759,
AKOS027252874,
AS-39177,
5-Chloro-2-amino-1H-indole-3-carboxylic acid ethyl ester,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number