| CAS Number | 1187932-05-3 |
| Catalog Number | AG0092PM(AGN-PC-0WCXY7) |
| Chemical Name | (R)-Benzyl 2-(chloromethyl)pyrrolidine-1-carboxylate |
| IUPAC Name | benzyl (2R)-2-(chloromethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H16ClNO2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1 |
| InChI Key | GWLBVPAKNFVYLA-GFCCVEGCSA-N |
| MDL Number | MFCD08061231 |
| Molecular Formula | C13H16ClNO2 |
| Molecular Weight | 253.7246 |
| SMILES | ClC[C@H]1CCCN1C(=O)OCC1C=CC=CC=1 |
| Synonyms | (R)-1-N-Cbz-2-Chloromethyl-pyrrolidine,
39945-49-8,
(r)-1-cbz-2-chloromethyl-pyrrolidine,
(R)-BENZYL 2-(CHLOROMETHYL)PYRROLIDINE-1-CARBOXYLATE,
1187932-05-3,
Benzyl (2R)-2-(chloromethyl)pyrrolidine-1-carboxylate,
DTXSID80649678,
8952AH,
MFCD08061231,
ZINC12650376,
(r)-1-n-cbz-2-chloromethylpyrrolidine,
AB43261,
FCH4041133,
AS-38171,
AB0076812,
AX8266905,
Z-5419,
(R)-2-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER,
C13H16ClNO2,
2-Chloromethyl-pyrrolidine-1-carboxylic acid benzyl ester,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.726g/mol |
| Monoisotopic Mass | 253.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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