| CAS Number | 944086-09-3 |
| Catalog Number | AG00II52(AGN-PC-015DXA) |
| Chemical Name | 1-(7-Bromo-1H-indol-3-yl)ethanone |
| IUPAC Name | 1-(7-bromo-1H-indol-3-yl)ethanone |
| InChI | InChI=1S/C10H8BrNO/c1-6(13)8-5-12-10-7(8)3-2-4-9(10)11/h2-5,12H,1H3 |
| InChI Key | ZRGRITPJQJCAFA-UHFFFAOYSA-N |
| MDL Number | MFCD20528267 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | CC(=O)C1=CNC2=C1C=CC=C2Br |
| Synonyms | 1-(7-Bromo-1H-indol-3-yl)ethanone,
944086-09-3,
1-(7-Bromo-1H-indol-3-yl)ethan-1-one,
CTK8C2065,
KS-00000QHK,
DTXSID50587831,
6139AC,
ANW-67717,
MFCD20528267,
ZINC82329817,
AKOS016006525,
1-(7-Bromo-1H-indole-3-yl)ethanone,
AK-82259,
DS-16543,
AJ-125175,
ST2403239,
TC-156462,
4CH-017948,
1-(7-Bromo-1H-indol-3-yl)ethanone, AldrichCPR,
C10H8BrNO,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number