1-Bromo-4-cyclopropylbenzene
PubChem CID: 12221355
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| Compound Synonyms | 1-bromo-4-cyclopropylbenzene, 1124-14-7, 4-Cyclopropyl-bromobenzene, 4-Cyclopropylbromobenzene, Benzene, 1-bromo-4-cyclopropyl-, 1-Bromo-4-cyclopropyl-benzene, MFCD00101828, CHEBI:87498, p-cyclopropylbromobenzene, 4-bromophenylcyclopropane, 4-(Cyclopropyl)bromobenzene, 4-bromo-1-cyclopropylbenzene, SCHEMBL265495, DTXSID001309625, BCP32708, BBL102524, STL556327, AKOS003358921, AB92154, CS-W023171, AC-30708, DS-16739, SY032748, EN300-122774, Q27159674, 4-Cyclopropyl-bromobenzene, Benzene, 1-bromo-4-cyclopropyl-, 691-030-9 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-bromo-4-cyclopropylbenzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C9H9Br |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRDNBWVMEFUNCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 1-Bromo-4-cyclopropylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 195.989 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 195.989 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 197.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5818649999999996 |
| Inchi | InChI=1S/C9H9Br/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2 |
| Smiles | C1CC1C2=CC=C(C=C2)Br |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients