| CAS Number | 851530-48-8 |
| Catalog Number | AG004N6F(AGN-PC-05RCLU) |
| Chemical Name | 5-Bromo-2-(4-methoxyphenyl)-1H-indole |
| IUPAC Name | 5-bromo-2-(4-methoxyphenyl)-1H-indole |
| InChI | InChI=1S/C15H12BrNO/c1-18-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3 |
| InChI Key | DGIPPVLCMMJSRL-UHFFFAOYSA-N |
| MDL Number | MFCD05224000 |
| Molecular Formula | C15H12BrNO |
| Molecular Weight | 302.1659 |
| SMILES | COC1=CC=C(C=C1)C1=CC2=C(N1)C=CC(Br)=C2 |
| Synonyms | 5-BROMO-2-(4-METHOXYPHENYL)-1H-INDOLE,
851530-48-8,
C15H12BrNO,
CTK8C4027,
DTXSID60653177,
ZINC1517845,
3176AC,
ANW-70964,
MFCD05224000,
AJ-26508,
AS-35571,
AX8239026,
TC-159709,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.171g/mol |
| Monoisotopic Mass | 301.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number