(βR)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Properties
- Molecular formula
- C25H21Cl2NO4
- Molar mass
- 470.35 g/mol
- Exact mass
- 469.0848 Da
- logP
- 6.12Crippen estimate
- Polar surface area
- 79.1 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 7
- Stereocentres
- Rin SMILES atom order
Identifiers
CAS number
269396-54-5SMILES
O=C(O)C[C@@H](Cc1ccc(Cl)cc1Cl)N=C(O)OCC1c2ccccc2-c2ccccc21InChIKey
UAGBOWBNDBDJMF-QGZVFWFLSA-NInChI
InChI=1S/C25H21Cl2NO4/c26-16-10-9-15(23(27)12-16)11-17(13-24(29)30)28-25(31)32-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-14H2,(H,28,31)(H,29,30)/t17-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzenebutanoic acid, 2,4-dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-
Work with (βR)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Similar compounds
(βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270596-37-784 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-468 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-91-468 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid270596-49-168 % similar
(βS)-2-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-84-466 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid269398-84-765 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid270062-94-765 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid270065-75-365 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds