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1260614-80-9 | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,5-dichlorophenyl)propanoic acid
CAS No: 1260614-80-9 Catalog No: AG000QW3 MDL No:
Product Description
Catalog Number:
AG000QW3
Chemical Name:
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,5-dichlorophenyl)propanoic acid
CAS Number:
1260614-80-9
Molecular Formula:
C24H19Cl2NO4
Molecular Weight:
456.3180
IUPAC Name:
(2S)-3-(2,5-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H19Cl2NO4/c25-15-9-10-21(26)14(11-15)12-22(23(28)29)27-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChI Key:
VKWVAMUOEUIASD-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1cc(Cl)ccc1Cl)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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