| CAS Number | 25177-74-6 |
| Catalog Number | AG00BNE3(AGN-PC-0L2PO0) |
| Chemical Name | 2-(7-chloro-2-methyl-1H-indol-3-yl)acetic acid |
| IUPAC Name | 2-(7-chloro-2-methyl-1H-indol-3-yl)acetic acid |
| InChI | InChI=1S/C11H10ClNO2/c1-6-8(5-10(14)15)7-3-2-4-9(12)11(7)13-6/h2-4,13H,5H2,1H3,(H,14,15) |
| InChI Key | OAQUVRVTNMDKGG-UHFFFAOYSA-N |
| MDL Number | MFCD02664374 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.6556 |
| SMILES | CC1=C(CC(O)=O)C2=C(C(=CC=C2)Cl)N1 |
| Synonyms | 25177-74-6,
(7-Chloro-2-methyl-1H-indol-3-yl)-acetic acid,
2-(7-chloro-2-methyl-1H-indol-3-yl)acetic Acid,
(7-chloro-2-methyl-1H-indol-3-yl)acetic acid,
AC1N145D,
DTXSID40398175,
ZINC3748621,
AKOS005208314,
BB 0248914,
F2113-0487,
-ACETICACID,
CID3949302,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.656g/mol |
| Monoisotopic Mass | 223.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number