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1197232-68-0 | 2-(4-Chloro-phenyl)-pyrrolidine oxalic acid salt
CAS No: 1197232-68-0 Catalog No: AG01F9G2 MDL No:
Product Description
Catalog Number:
AG01F9G2
Chemical Name:
2-(4-Chloro-phenyl)-pyrrolidine oxalic acid salt
CAS Number:
1197232-68-0
Molecular Formula:
C12H14ClNO4
Molecular Weight:
271.6969
IUPAC Name:
2-(4-chlorophenyl)pyrrolidine;oxalic acid
InChI:
InChI=1S/C10H12ClN.C2H2O4/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;3-1(4)2(5)6/h3-6,10,12H,1-2,7H2;(H,3,4)(H,5,6)
InChI Key:
BJCFNRHJYPXOOB-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Clc1ccc(cc1)C1CCCN1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.697g/mol
Monoisotopic Mass:
271.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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