| CAS Number | 104115-70-0 |
| Catalog Number | AG00HAAB(AGN-PC-0LFZ59) |
| Chemical Name | 1H-Indole-2-carboxylic acid, 4,7-dichloro-, ethyl ester |
| IUPAC Name | ethyl 4,7-dichloro-1H-indole-2-carboxylate |
| InChI | InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)9-5-6-7(12)3-4-8(13)10(6)14-9/h3-5,14H,2H2,1H3 |
| InChI Key | OQJPFGFLIIVSLF-UHFFFAOYSA-N |
| MDL Number | MFCD04966955 |
| Molecular Formula | C11H9Cl2NO2 |
| Molecular Weight | 258.1007 |
| SMILES | CCOC(=O)c1cc2c(ccc(c2[nH]1)Cl)Cl |
| Synonyms | Ethyl 4,7-dichloro-1H-indole-2-carboxylate,
104115-70-0,
Ethyl 4,7-Dichloroindole-2-carboxylate,
4,7-dichloro-indole-2-carboxylic acid ethyl ester,
AK542780,
AC1NFWE0,
SCHEMBL8325034,
MIX-0023,
ZINC2534072,
ZX-BK002582,
MFCD04966955,
AKOS001476220,
DS-19173,
SY040481,
CS-0041375,
H8462,
MFCD04966955 (95%),
CID4714972,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.098g/mol |
| Monoisotopic Mass | 257.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number