| CAS Number | 90858-86-9 |
| Catalog Number | AG00H02S(AGN-PC-03JCPD) |
| Chemical Name | 1H-Indole, 4-broMo-5-Methoxy- |
| IUPAC Name | 4-bromo-5-methoxy-1H-indole |
| InChI | InChI=1S/C9H8BrNO/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-5,11H,1H3 |
| InChI Key | FPSVUEYKYLKRJL-UHFFFAOYSA-N |
| MDL Number | MFCD12973810 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | COC1=C(Br)C2=C(NC=C2)C=C1 |
| Synonyms | 4-bromo-5-methoxy-1H-indole,
90858-86-9,
4-bromo-5-methoxyindole,
1H-Indole, 4-bromo-5-methoxy-,
AK144751,
4-brom-5-methoxy-1H-indole,
SCHEMBL1998130,
FPSVUEYKYLKRJL-UHFFFAOYSA-N,
BBL102251,
MFCD12973810,
STL556050,
ZINC77024964,
AKOS017343675,
DS-7952,
FCH1379083,
KS-000005C3,
SC-50393,
AJ-122375,
AX8244126,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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