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RARECHEM GF HW 0006

CAS No.:
188814-26-8
Catalog Number:
AG01EKE1
Molecular Formula:
C24H19Cl2NO4
Molecular Weight:
456.3180
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Product Description
Catalog Number:
AG01EKE1
Chemical Name:
RARECHEM GF HW 0006
CAS Number:
188814-26-8
Molecular Formula:
C24H19Cl2NO4
Molecular Weight:
456.3180
MDL Number:
MFCD03003617
IUPAC Name:
3-(3,5-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H19Cl2NO4/c25-15-9-14(10-16(26)11-15)22(12-23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21-22H,12-13H2,(H,27,30)(H,28,29)
InChI Key:
BEKZHTVXEZMGPB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cc(Cl)cc(c1)Cl)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
615  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.069g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
456.319g/mol
Monoisotopic Mass:
455.069g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties