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Home> Hot Product Listed X   > X-RITC

X-RITC

CAS No.:82344-98-7
Molecular Weight:547.6667
Molecular Formula:C33H29N3O3S (Products with the same molecular formula)
MOL File:82344-98-7.mol
Names and Identifiers
Synonyms

XRITCX-RHODAMINE-5-(AND-6)-ISOTHIOCYANATEX-RITCqfitc mixed isomersXRITC, Pure5(6)-XRITCSubstituted rhodamine isothiocyanate pureNsc378142

Inchi
InChI=1/C33H29N3O3S/c37-32-24-17-21(34-18-40)9-10-25(24)33(39-32)26-15-19-5-1-11-35-13-3-7-22(28(19)35)30(26)38-31-23-8-4-14-36-12-2-6-20(29(23)36)16-27(31)33/h9-10,15-17H,1-8,11-14H2
Canonical Smiles
C1=CC(=C(C=C1N=C=S)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O.Cl
Properties
Density
1.53g/cm3
Boiling Point
°Cat760mmHg
Refractive Index
1.811
Flash Point
°Cat760mmHg
Storage temp
Store at -20
Safety and Handling
Hazard Codes
Xi
Computational chemical data

Molecular Weight:425.84168 [g/mol]
Molecular Formula:C21H12ClNO5S
H-Bond Donor:3
H-Bond Acceptor:7
Rotatable Bond Count:3
Tautomer Count:4
Exact Mass:425.012471
MonoIsotopic Mass:425.012471
Topological Polar Surface Area:128
Heavy Atom Count:29
Formal Charge:0
Complexity:838
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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