| CAS Number | 327021-88-5 |
| Catalog Number | AG01ELCE(AGN-PC-02WQX8) |
| Chemical Name | 6-bromo-1H,2H,3H,4H-cyclopenta[b]indole |
| IUPAC Name | 6-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole |
| InChI | InChI=1S/C11H10BrN/c12-7-4-5-9-8-2-1-3-10(8)13-11(9)6-7/h4-6,13H,1-3H2 |
| InChI Key | JCEVVEDOCLAFTJ-UHFFFAOYSA-N |
| MDL Number | MFCD31666966 |
| Molecular Formula | C11H10BrN |
| Molecular Weight | 236.1078 |
| SMILES | BrC1=CC2=C(C=C1)C(CCC3)=C3N2 |
| Synonyms | 6-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole,
327021-88-5,
SCHEMBL6627508,
JCEVVEDOCLAFTJ-UHFFFAOYSA-N,
ZINC168560970,
FCH4273116,
6-bromo-1H,2H,3H,4H-cyclopenta[b]indole,
AX8271625,
6-bromo-1,2,3,4-tetrahydrocyclopent[b]indole,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.112g/mol |
| Monoisotopic Mass | 235g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number