Home Halogens Benzenebutanoic acid, 3-bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-

Benzenebutanoic acid, 3-bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-

CAS No.:
1632296-29-7
Catalog Number:
AG001TX9
Molecular Formula:
C25H22BrNO4
Molecular Weight:
480.3505
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Product Description
Catalog Number:
AG001TX9
Chemical Name:
Benzenebutanoic acid, 3-bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-
CAS Number:
1632296-29-7
Molecular Formula:
C25H22BrNO4
Molecular Weight:
480.3505
MDL Number:
MFCD11617953
IUPAC Name:
(3R)-4-(3-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C25H22BrNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m1/s1
InChI Key:
DZMCYXYXRITKHK-GOSISDBHSA-N
SMILES:
O=C(N[C@H](Cc1cccc(c1)Br)CC(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
479.073g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
480.358g/mol
Monoisotopic Mass:
479.073g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties