| CAS Number | 952958-53-1 |
| Catalog Number | AG00IIX5(AGN-PC-0WOL1G) |
| Chemical Name | methyl 4,5-dichloro-1H-indole-2-carboxylate |
| IUPAC Name | methyl 4,5-dichloro-1H-indole-2-carboxylate |
| InChI | InChI=1S/C10H7Cl2NO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(11)9(5)12/h2-4,13H,1H3 |
| InChI Key | FCGXUKBYUAWSIF-UHFFFAOYSA-N |
| MDL Number | MFCD08277053 |
| Molecular Formula | C10H7Cl2NO2 |
| Molecular Weight | 244.0741 |
| SMILES | ClC1=C2C=C(NC2=CC=C1Cl)C(=O)OC |
| Synonyms | methyl 4,5-dichloro-1H-indole-2-carboxylate,
952958-53-1,
AC1OXT9K,
SCHEMBL19331400,
ZINC6658155,
BBL020595,
MFCD08277053,
STK893284,
AKOS005144079,
MCULE-8993821766,
Methyl4,5-Dichloroindole-2-carboxylate,
Methyl 4,5-Dichloroindole-2-carboxylate,
NCGC00336926-01,
H9041,
AB01330007-02,
Z794346298,
ZINC06658155,
CID8027292,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.071g/mol |
| Monoisotopic Mass | 242.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number