| CAS Number | 861021-47-8 |
| Catalog Number | AG00IDWI(AGN-PC-0WG3WD) |
| Chemical Name | (4-Bromomethyl-piperidin-1-yl)-phenyl-methanone |
| IUPAC Name | [4-(bromomethyl)piperidin-1-yl]-phenylmethanone |
| InChI | InChI=1S/C13H16BrNO/c14-10-11-6-8-15(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11H,6-10H2 |
| InChI Key | DDWPTGQWWYXYBM-UHFFFAOYSA-N |
| MDL Number | MFCD11612765 |
| Molecular Formula | C13H16BrNO |
| Molecular Weight | 282.1762 |
| SMILES | BrCC1CCN(CC1)C(=O)c1ccccc1 |
| Synonyms | (4-Bromomethyl-piperidin-1-yl)-phenyl-methanone,
861021-47-8,
(4-(Bromomethyl)piperidin-1-yl)(phenyl)methanone,
A1-02865,
[4-(bromomethyl)piperidin-1-yl]-phenylmethanone,
MFCD11612765,
ZINC19783776,
AKOS017561407,
AM805194,
CS-0037361,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.181g/mol |
| Monoisotopic Mass | 281.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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