| CAS Number | 1469974-99-9 |
| Catalog Number | AG00ASAL |
| Chemical Name | 3-(4-Bromophenyl)pyrrolidine |
| IUPAC Name | 3-(4-bromophenyl)pyrrolidine |
| InChI | InChI=1S/C10H12BrN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2 |
| InChI Key | HXTSCISDZDBQEK-UHFFFAOYSA-N |
| MDL Number | MFCD06738770 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | BrC1=CC=C(C2CNCC2)C=C1 |
| Synonyms | 3-(4-Bromophenyl)pyrrolidine,
328546-98-1,
3-(4-BROMO-PHENYL)-PYRROLIDINE,
1469974-99-9,
SCHEMBL1002475,
CTK4G9437,
Pyrrolidine,3-(4-bromophenyl)-,
HXTSCISDZDBQEK-UHFFFAOYSA-N,
1987AJ,
ANW-60901,
MFCD06738770,
AKOS022183441,
AB27856,
SC-13138,
DB-068705,
TC-149646,
FT-0752457,
Z-6394,
3- -PYRROLIDINE,
C10H12BrN,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.117g/mol |
| Monoisotopic Mass | 225.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number