| CAS Number | 645416-98-4 |
| Catalog Number | AG019EWF(AGN-PC-0A9Z9M) |
| Chemical Name | 5'-Bromo-1',2'-dihydrospiro[cyclohexane-1,3'-[3H]indole] |
| IUPAC Name | 5-bromospiro[1,2-dihydroindole-3,1'-cyclohexane] |
| InChI | InChI=1S/C13H16BrN/c14-10-4-5-12-11(8-10)13(9-15-12)6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2 |
| InChI Key | IZEPVDFSBBDDPJ-UHFFFAOYSA-N |
| MDL Number | MFCD12198650 |
| Molecular Formula | C13H16BrN |
| Molecular Weight | 266.1768 |
| SMILES | BrC=1C=C2C3(CNC2=CC1)CCCCC3 |
| Synonyms | 5'-bromo-1',2'-dihydrospiro[cyclohexane-1,3'-indole],
645416-98-4,
5'-Bromospiro[cyclohexane-1,3'-indoline],
EN300-79343,
MFCD12198650,
ZINC68593512,
AKOS023568825,
AM805377,
CS-0035974,
5-Bromo-1,2-Dihydrospiro[Cyclohexane-1,3-Indole],
5-bromospiro[1,2-dihydroindole-3,1'-cyclohexane],
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.182g/mol |
| Monoisotopic Mass | 265.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number