| CAS Number | 90561-74-3 |
| Catalog Number | AG00IG77(AGN-PC-0WD8RT) |
| Chemical Name | 3-(4-bromophenyl)azetidinehydrochloride |
| IUPAC Name | 3-(4-bromophenyl)azetidine;hydrochloride |
| InChI | InChI=1S/C9H10BrN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H |
| InChI Key | PUUADIQWLUEDNH-UHFFFAOYSA-N |
| MDL Number | MFCD11223580 |
| Molecular Formula | C9H11BrClN |
| Molecular Weight | 248.5473 |
| SMILES | BrC1=CC=C(C2CNC2)C=C1.[H]Cl |
| Synonyms | 3-(4-Bromophenyl)azetidine hydrochloride,
90561-74-3,
3-(4-BROMOPHENYL)AZETIDINE HCL,
SCHEMBL16799643,
PUUADIQWLUEDNH-UHFFFAOYSA-N,
MFCD11223580,
3-(4-bromophenyl)azetidinehydrochloride,
AS-42601,
3-(4-bromophenyl)-azetidine hydrochloride,
CS-0051750,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.548g/mol |
| Monoisotopic Mass | 246.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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