Home Carboxys (3R,4S)-4-(3-Chlorophenyl)pyrrolidine-3-carboxylic acid

(3R,4S)-4-(3-Chlorophenyl)pyrrolidine-3-carboxylic acid

CAS No.:
1047651-80-8
Catalog Number:
AG0085PB
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
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Product Description
Catalog Number:
AG0085PB
Chemical Name:
(3R,4S)-4-(3-Chlorophenyl)pyrrolidine-3-carboxylic acid
CAS Number:
1047651-80-8
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD11520167
IUPAC Name:
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H12ClNO2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
InChI Key:
BJGWYFRCQPUPCO-VHSXEESVSA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1cccc(c1)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties