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386-17-4 | TETRAIODOPHENOLPHTHALEIN
CAS No: 386-17-4 Catalog No: AG003UPB MDL No:MFCD00001614
Product Description
Catalog Number:
AG003UPB
Chemical Name:
TETRAIODOPHENOLPHTHALEIN
CAS Number:
386-17-4
Molecular Formula:
C20H10I4O4
Molecular Weight:
821.9089
MDL Number:
MFCD00001614
IUPAC Name:
3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChI Key:
FWQKRBDABCRWKV-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(c1cc(I)c(c(c1)I)O)c1cc(I)c(c(c1)I)O
EC Number:
206-857-9
UNII:
R2CC46UA50
NSC Number:
4904
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
821.676g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
821.914g/mol
Monoisotopic Mass:
821.676g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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