| CAS Number | 6729-30-2 |
| Catalog Number | AG00FGQ9(AGN-PC-02WUOX) |
| Chemical Name | 6-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one |
| IUPAC Name | 6-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one |
| InChI | InChI=1S/C10H10BrNO/c11-8-4-2-5-9-7(8)3-1-6-10(13)12-9/h2,4-5H,1,3,6H2,(H,12,13) |
| InChI Key | VTTMGWBZSGXBTC-UHFFFAOYSA-N |
| MDL Number | MFCD16619138 |
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 240.0965 |
| SMILES | O=C1CCCC2=C(Br)C=CC=C2N1 |
| Synonyms | 6729-30-2,
6-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one,
6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one,
6-bromo-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one,
DTXSID60609230,
0355AC,
ZINC91301241,
AKOS016012137,
NE33069,
AJ-129565,
DB-073861,
FT-0758647,
160B989,
C10H10BrNO,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.1g/mol |
| Monoisotopic Mass | 238.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number