Home Halogens 1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

CAS No.:
1519318-14-9
Catalog Number:
AG01BCIO
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
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Product Description
Catalog Number:
AG01BCIO
Chemical Name:
1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CAS Number:
1519318-14-9
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD22408287
IUPAC Name:
1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChI Key:
FPGYADRKFPWWLU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(C1)c1ccccc1Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties