| CAS Number | 1272755-28-8 |
| Catalog Number | AG00ITRZ(AGN-PC-0WAY66) |
| Chemical Name | (R)-1-Benzyl-5-chloromethyl-2-pyrrolidinone |
| IUPAC Name | (5R)-1-benzyl-5-(chloromethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C12H14ClNO/c13-8-11-6-7-12(15)14(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1 |
| InChI Key | BRRQAOCSBBICOV-LLVKDONJSA-N |
| MDL Number | MFCD00797911 |
| Molecular Formula | C12H14ClNO |
| Molecular Weight | 223.6987 |
| SMILES | ClCC1(N(C(=O)CC1)CC2(=CC=CC=C2)) |
| Synonyms | (R)-1-BENZYL-5-CHLOROMETHYL-2-PYRROLIDINONE,
1272755-28-8,
1272755-05-1,
(5R)-1-benzyl-5-(chloromethyl)pyrrolidin-2-one,
CTK6G5862,
KS-000022QY,
ZINC2569603,
MFCD00797911,
AKOS025392405,
AS-7004,
FCH4039123,
OR310596,
(S)-1-BENZYL-5-CHLOROMETHYL-2-PYRROLIDINONE,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.7g/mol |
| Monoisotopic Mass | 223.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number