| CAS Number | 1187932-75-7 |
| Catalog Number | AG008T73 |
| Chemical Name | 3(S)-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER |
| IUPAC Name | tert-butyl (3S)-3-(chloromethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1 |
| InChI Key | ZCOBWMKNMWVILV-MRVPVSSYSA-N |
| MDL Number | MFCD08059336 |
| Molecular Formula | C10H18ClNO2 |
| Molecular Weight | 219.7084 |
| SMILES | CC(C)(C)OC(=O)N1CC[C@H](CCl)C1 |
| Synonyms | 1187932-75-7,
(S)-TERT-BUTYL 3-(CHLOROMETHYL)PYRROLIDINE-1-CARBOXYLATE,
3(S)-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
tert-butyl (3S)-3-(chloromethyl)pyrrolidine-1-carboxylate,
9240AH,
MFCD08059336,
ZINC66339252,
AKOS022182197,
AB43107,
AS-30201,
AJ-116194,
Z-5274,
tert-butyl (S)-3-(chloromethyl)pyrrolidine-1-carboxylate,
3(S)-Chloromethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR,
C10H18ClNO2,
(R)-tert-butyl 3-(chloromethyl)pyrrolidine-1-carboxylate,
1187927-12-3,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.709g/mol |
| Monoisotopic Mass | 219.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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