| CAS Number | 1212102-71-0 |
| Catalog Number | AG009WO0(AGN-PC-0WAGLD) |
| Chemical Name | Boc-(+/-)-trans-4-(2-chloro-phenyl)-pyrrolidine-3-carboxylic acid |
| IUPAC Name | (3R,4S)-4-(2-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C16H20ClNO4/c1-16(2,3)22-15(21)18-8-11(12(9-18)14(19)20)10-6-4-5-7-13(10)17/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1 |
| InChI Key | PGJXFBYJBMDMRZ-NEPJUHHUSA-N |
| MDL Number | MFCD01862544 |
| Molecular Formula | C16H20ClNO4 |
| Molecular Weight | 325.7873 |
| SMILES | CC(OC(N1C[C@H](C2=C(Cl)C=CC=C2)[C@@H](C(O)=O)C1)=O)(C)C |
| Synonyms | trans-1-(tert-Butoxycarbonyl)-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid,
1212102-71-0,
(3R,4S)-1-(tert-butoxycarbonyl)-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid,
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid,
939757-93-4,
SCHEMBL16780714,
TRANS (+/-) 1-[(TERT-BUTYL)OXYCARBONYL]-4-(2-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID,
ZINC2386737,
SBB066792,
AKOS015841314,
AKOS015898098,
AJ-35374,
AX8291849,
I11-0186,
(+/-)-trans-1-Boc-4-(2-chloro-phenyl)-pyrrolidine-3-carboxylic acid,
(4S,3R)-1-[(tert-butyl)oxycarbonyl]-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid,
Trans-1-Boc-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.789g/mol |
| Monoisotopic Mass | 325.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number