Home Halogens (2S,4R)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride

(2S,4R)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride

CAS No.:
1049733-75-6
Catalog Number:
AG0094Y5
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
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Product Description
Catalog Number:
AG0094Y5
Chemical Name:
(2S,4R)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
CAS Number:
1049733-75-6
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
MDL Number:
MFCD06659394
IUPAC Name:
(2S,4R)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14ClNO2.ClH/c13-10-3-1-2-8(5-10)4-9-6-11(12(15)16)14-7-9;/h1-3,5,9,11,14H,4,6-7H2,(H,15,16);1H/t9-,11+;/m1./s1
InChI Key:
DJTLAJDJECIWLN-XQKZEKTMSA-N
SMILES:
OC(=O)[C@H]1NC[C@@H](C1)Cc1cccc(c1)Cl.Cl
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
275.048g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
276.157g/mol
Monoisotopic Mass:
275.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties