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1392266-51-1 | 3-Pyrrolidinecarboxylic acid, 4-(2,3-dichlorophenyl)-, (3R,4S)-rel-
CAS No: 1392266-51-1 Catalog No: AG001AIC MDL No:
Product Description
Catalog Number:
AG001AIC
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(2,3-dichlorophenyl)-, (3R,4S)-rel-
CAS Number:
1392266-51-1
Molecular Formula:
C11H11Cl2NO2
Molecular Weight:
260.1165
IUPAC Name:
(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H11Cl2NO2/c12-9-3-1-2-6(10(9)13)7-4-14-5-8(7)11(15)16/h1-3,7-8,14H,4-5H2,(H,15,16)/t7-,8+/m1/s1
InChI Key:
OKWXYXBTTNSUBY-SFYZADRCSA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1cccc(c1Cl)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.114g/mol
Monoisotopic Mass:
259.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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