1-Bromoproane
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CAS Number 106-94-5
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Catalog Number io-1854
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Classification Halogenated Organic Compounds
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Molecular Weight 122.9900
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SMILES CCCBr
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1-Bromopropane (1-BP) can cause cancer, developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The National Toxicology Program.
| 1 | 1-BROMOPROPANE |
| 2 | N-Propyl bromide |
| 3 | Propyl bromide |
| 4 | Propane, 1-bromo- |
| 5 | Propane, bromo- |
| Molecular Formula | C3H7Br |
|---|---|
| Canonical SMILES | CCCBr |
| Isomeric SMILES | CCCBr |
| Molecular Weight | 122.9900 |
| InChIKey | CYNYIHKIEHGYOZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3 |
| XLogP | 2.1000 |
| ExactMass | 121.9731 |
| MonoisotopicMass | 121.9731 |
| TPSA | 0.0000 |
| Complexity | 7.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 4 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 48362 |
| PatentFamilyCount | 16490 |
| LiteratureCount | 1137 |
