5-bromo-2-({1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidin-3-yl}oxy)benzoic acid

5-bromo-2-({1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidin-3-yl}oxy)benzoic acid

Formula: C26H22BrNO5

SMILES: OC(=O)C1=C(OC2CCN(C2)C(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C=CC(Br)=C1

IUPAC: 5-bromo-2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)oxy]benzoic acid

InChI: InChI=1/C26H22BrNO5/c27-16-9-10-24(22(13-16)25(29)30)33-17-11-12-28(14-17)26(31)32-15-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-10,13,17,23H,11-12,14-15H2,(H,29,30)

Composition: C (61.43%), H (4.36%), Br (15.72%), N (2.76%), O (15.74%)

Molar Mass: 508.368

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	507.068136
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BMMAVEGXKVKMIG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	126.89
Topological Polar Surface Area	76.07
Polarizability	49.91
Ring Count	5
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C26H22BrNO5		Quote Only