| CAS Number | 3722-78-9 |
| Catalog Number | AG00CMVU(AGN-PC-03TFCJ) |
| Chemical Name | 8-Bromochromane |
| IUPAC Name | 8-bromo-3,4-dihydro-2H-chromene |
| InChI | InChI=1S/C9H9BrO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5H,2,4,6H2 |
| InChI Key | YJOORJDFGHETSS-UHFFFAOYSA-N |
| MDL Number | MFCD09266208 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | BrC1=CC=CC2=C1OCCC2 |
| Synonyms | 8-bromochroman,
8-Bromochromane,
3722-78-9,
8-Bromo-3,4-dihydro-2H-1-benzopyran,
8-bromo-chroman,
SCHEMBL3603870,
CTK8I4647,
DTXSID20626605,
YJOORJDFGHETSS-UHFFFAOYSA-N,
MFCD09266208,
ZINC82372104,
AKOS022690743,
CB-4200,
DS-8129,
AK172683,
DB-069511,
FT-0719532,
J3.665.814B,
W-4218,
Z2327884062,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number