| CAS Number | 91085-89-1 |
| Catalog Number | AG006R1S(AGN-PC-000CL9) |
| Chemical Name | 1-(3-Bromopropyl)-3-chlorobenzene |
| IUPAC Name | 1-(3-bromopropyl)-3-chlorobenzene |
| InChI | InChI=1S/C9H10BrCl/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6H2 |
| InChI Key | OHERYFKQOIVITI-UHFFFAOYSA-N |
| MDL Number | MFCD09744367 |
| Molecular Formula | C9H10BrCl |
| Molecular Weight | 233.5327 |
| SMILES | ClC1=CC(CCCBr)=CC=C1 |
| Synonyms | 1-(3-BROMOPROPYL)-3-CHLOROBENZENE,
91085-89-1,
1-(3-Bromo-propyl)-3-chloro-benzene,
SCHEMBL79458,
ACMC-209r81,
CTK8B2669,
DTXSID90555599,
OHERYFKQOIVITI-UHFFFAOYSA-N,
ANW-39551,
MFCD09744367,
ZINC49651092,
1-bromo-3-(3-chlorophenyl)-propane,
AKOS011897941,
Benzene, 1-(3-bromopropyl)-3-chloro-,
AJ-111403,
TC-128296,
V8963,
A-3275,
I01-11253,
C9H10BrCl,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.533g/mol |
| Monoisotopic Mass | 231.965g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number