| CAS Number | 59734-91-7 |
| Catalog Number | AG00EO4T(AGN-PC-0WD2UO) |
| Chemical Name | 1-Bromo-4-cyclopentylbenzene |
| IUPAC Name | 1-bromo-4-cyclopentylbenzene |
| InChI | InChI=1S/C11H13Br/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2 |
| InChI Key | NVJMEQDYMUAAKL-UHFFFAOYSA-N |
| MDL Number | MFCD11111741 |
| Molecular Formula | C11H13Br |
| Molecular Weight | 225.1249 |
| SMILES | BrC1=CC=C(C2CCCC2)C=C1 |
| Synonyms | 1-Bromo-4-cyclopentylbenzene,
59734-91-7,
Benzene, 1-bromo-4-cyclopentyl-,
bromo-4-cyclopentyl-benzene,
1-bromo-4-cyclopentyl-benzene,
SCHEMBL3575917,
CTK8J5187,
DTXSID70710583,
NVJMEQDYMUAAKL-UHFFFAOYSA-N,
MFCD11111741,
ZINC72193144,
AKOS015946470,
FCH1402808,
AJ-119456,
AX8258721,
DB-072685,
FT-0698658,
Y5821,
C11H13Br,
ACN-028558,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.129g/mol |
| Monoisotopic Mass | 224.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number