Home Halogens 1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid

1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid

CAS No.:
744253-60-9
Catalog Number:
AG01EKHR
Molecular Formula:
C12H11Cl2NO3
Molecular Weight:
288.1266
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Product Description
Catalog Number:
AG01EKHR
Chemical Name:
1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CAS Number:
744253-60-9
Molecular Formula:
C12H11Cl2NO3
Molecular Weight:
288.1266
MDL Number:
MFCD09045433
IUPAC Name:
1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H11Cl2NO3/c13-8-4-7(5-9(14)6-8)11(16)15-3-1-2-10(15)12(17)18/h4-6,10H,1-3H2,(H,17,18)
InChI Key:
RANFRUCLCQSCQN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1C(=O)c1cc(Cl)cc(c1)Cl
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.012g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.124g/mol
Monoisotopic Mass:
287.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties