| CAS Number | 1270542-80-7 |
| Catalog Number | AG009VOX(AGN-PC-0WOCYM) |
| Chemical Name | 2-(4-bromophenyl)azetidine |
| IUPAC Name | 2-(4-bromophenyl)azetidine |
| InChI | InChI=1S/C9H10BrN/c10-8-3-1-7(2-4-8)9-5-6-11-9/h1-4,9,11H,5-6H2 |
| InChI Key | KJWNZTPBMDNIPA-UHFFFAOYSA-N |
| MDL Number | MFCD18701593 |
| Molecular Formula | C9H10BrN |
| Molecular Weight | 212.0864 |
| SMILES | BrC1=CC=C(C2NCC2)C=C1 |
| Synonyms | 2-(4-bromophenyl)azetidine,
1270542-80-7,
SCHEMBL14881196,
KJWNZTPBMDNIPA-UHFFFAOYSA-N,
AKOS014917625,
FT-0737179,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.09g/mol |
| Monoisotopic Mass | 211g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number