| CAS Number | 81224-15-9 |
| Catalog Number | AG00ID68(AGN-PC-0WO3EJ) |
| Chemical Name | 7-Bromo-4-methoxy-1H-indole-2-carboxylic acid |
| IUPAC Name | 7-bromo-4-methoxy-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8BrNO3/c1-15-8-3-2-6(11)9-5(8)4-7(12-9)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChI Key | LTXFQVZKWCXSFQ-UHFFFAOYSA-N |
| MDL Number | MFCD02664455 |
| Molecular Formula | C10H8BrNO3 |
| Molecular Weight | 270.0794 |
| SMILES | COC1=C2C(NC(C(O)=O)=C2)=C(Br)C=C1 |
| Synonyms | 7-bromo-4-methoxy-1H-indole-2-carboxylic Acid,
81224-15-9,
AC1MS9CX,
AC1Q47B9,
CTK7A1450,
ZINC3748668,
MFCD02664455,
AKOS009041185,
MCULE-6278533598,
NE61313,
EN300-15101,
Z324553054,
CID3580737,
acide bromo-7 methoxy-4 indolecarboxylique-2,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.082g/mol |
| Monoisotopic Mass | 268.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number