| CAS Number | 1015460-62-4 |
| Catalog Number | AG0096WA(AGN-PC-0WNGHW) |
| Chemical Name | 9-Bromo-5H-pyrido[4,3-b]indole |
| IUPAC Name | 9-bromo-5H-pyrido[4,3-b]indole |
| InChI | InChI=1S/C11H7BrN2/c12-8-2-1-3-10-11(8)7-6-13-5-4-9(7)14-10/h1-6,14H |
| InChI Key | AQVVGJGWWRZZKM-UHFFFAOYSA-N |
| MDL Number | MFCD30181901 |
| Molecular Formula | C11H7BrN2 |
| Molecular Weight | 247.0907 |
| SMILES | Brc1cccc2c1c1cnccc1[nH]2 |
| Synonyms | 9-bromo-5H-pyrido[4,3-b]indole,
1015460-62-4,
KS-00000TZB,
MFCD30181901,
ZINC575440645,
ACN-045309,
AK554538,
DS-19633,
CS-0062139,
5-bromo-carboline,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.095g/mol |
| Monoisotopic Mass | 245.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number