| CAS Number | 156868-84-7 |
| Catalog Number | AG00HYF8(AGN-PC-0WQVMG) |
| Chemical Name | 1-(3-Bromopropyl)-3-fluorobenzene |
| IUPAC Name | 1-(3-bromopropyl)-3-fluorobenzene |
| InChI | InChI=1S/C9H10BrF/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6H2 |
| InChI Key | CDHMFRCDGRGHMA-UHFFFAOYSA-N |
| MDL Number | MFCD09744412 |
| Molecular Formula | C9H10BrF |
| Molecular Weight | 217.0781 |
| SMILES | FC1=CC(CCCBr)=CC=C1 |
| Synonyms | 1-(3-BROMOPROPYL)-3-FLUOROBENZENE,
156868-84-7,
1-(3-Bromo-propyl)-3-fluoro-benzene,
SCHEMBL79429,
CDHMFRCDGRGHMA-UHFFFAOYSA-N,
1-Bromo-3-(3-fluorophenyl)propane,
MFCD09744412,
ZINC60712430,
AKOS011895270,
NE28599,
Benzene, 1-(3-bromopropyl)-3-fluoro-,
AM803269,
J3.617.197I,
1-(3-Bromopropyl)-3-fluorobenzene, AldrichCPR,
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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 | 215.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.081g/mol |
| Monoisotopic Mass | 215.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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