5-chloromethylfluorescein

5-chloromethylfluorescein

CAS: 136832-63-8

Formula: C25H17ClO7

SMILES: CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=CC(CCl)=CC=C13)C1=CC=C(OC(C)=O)C=C1O2

IUPAC: 6'-(acetyloxy)-5-(chloromethyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate

InChI: InChI=1S/C25H17ClO7/c1-13(27)30-16-4-7-20-22(10-16)32-23-11-17(31-14(2)28)5-8-21(23)25(20)19-6-3-15(12-26)9-18(19)24(29)33-25/h3-11H,12H2,1-2H3

Composition: C (64.60%), H (3.69%), Cl (7.63%), O (24.09%)

Molar Mass: 464.85

Atom Count: 50

Heavy Atom Count: 33

Properties

Properties

Common Names	5-chloromethylfluorescein; cmfda
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	464.0662806
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IPJDHSYCSQAODE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.39
Topological Polar Surface Area	88.13
Polarizability	45.77
Ring Count	5
Rotatable Bond Count	5

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