| CAS Number | 115027-07-1 |
| Catalog Number | AG019ROZ(AGN-PC-0NKST3) |
| Chemical Name | methyl 3-(2-chloroacetyl)-1H-indole-5-carboxylate |
| IUPAC Name | methyl 3-(2-chloroacetyl)-1H-indole-5-carboxylate |
| InChI | InChI=1S/C12H10ClNO3/c1-17-12(16)7-2-3-10-8(4-7)9(6-14-10)11(15)5-13/h2-4,6,14H,5H2,1H3 |
| InChI Key | JAXDITYKGJUIHT-UHFFFAOYSA-N |
| MDL Number | MFCD18089662 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | COC(C1=CC2=C(NC=C2C(CCl)=O)C=C1)=O |
| Synonyms | methyl 3-(2-chloroacetyl)-1H-indole-5-carboxylate,
115027-07-1,
AC1Q43NR,
ZINC58041752,
AKOS033119145,
NE27949,
EN300-90096,
Z1157651610,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.666g/mol |
| Monoisotopic Mass | 251.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number