Home Halogens 1-[(4-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid hydrochloride

1-[(4-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid hydrochloride

CAS No.:
1827960-20-2
Catalog Number:
AG01B2GQ
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
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Product Description
Catalog Number:
AG01B2GQ
Chemical Name:
1-[(4-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid hydrochloride
CAS Number:
1827960-20-2
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
MDL Number:
MFCD29991602
IUPAC Name:
1-[(4-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14ClNO2.ClH/c13-11-3-1-9(2-4-11)7-14-6-5-10(8-14)12(15)16;/h1-4,10H,5-8H2,(H,15,16);1H
InChI Key:
DJPYAFLBOCEWEJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(C1)Cc1ccc(cc1)Cl.Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
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:
2  
Isotope Atom Count:
0
Molecular Weight:
276.157g/mol
Monoisotopic Mass:
275.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties