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Home > Fluorides > 122018-93-3
122018-93-3 | 2H-1-Benzopyran-2-one, 7-(phosphonooxy)-4-(trifluoromethyl)-
CAS No: 122018-93-3 Catalog No: AG0016MD MDL No:
Product Description
Catalog Number:
AG0016MD
Chemical Name:
2H-1-Benzopyran-2-one, 7-(phosphonooxy)-4-(trifluoromethyl)-
CAS Number:
122018-93-3
Molecular Formula:
C10H6F3O6P
Molecular Weight:
310.1200
IUPAC Name:
dihydroxy(oxo)phosphanium;4-(trifluoromethyl)chromen-2-one
InChI:
InChI=1S/C10H5F3O2.HO3P/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8;1-4(2)3/h1-5H;(H-,1,2,3)/p+1
InChI Key:
PEKVXGNEVKIFTF-UHFFFAOYSA-O
SMILES:
O=c1oc2cc(ccc2c(c1)C(F)(F)F)OP(=O)(O)O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.998g/mol
Formal Charge:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.13g/mol
Monoisotopic Mass:
294.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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