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88924-57-6 | Spiro[1,3-benzodioxole-2,9'-[9H]xanthene], 4,4',5,6,7-pentachloro-
CAS No: 88924-57-6 Catalog No: AG0048VP MDL No:
Product Description
Catalog Number:
AG0048VP
Chemical Name:
Spiro[1,3-benzodioxole-2,9'-[9H]xanthene], 4,4',5,6,7-pentachloro-
CAS Number:
88924-57-6
Molecular Formula:
C19H7Cl5O3
Molecular Weight:
460.5221
IUPAC Name:
4,4',5,6,7-pentachlorospiro[1,3-benzodioxole-2,9'-xanthene]
InChI:
InChI=1S/C19H7Cl5O3/c20-10-6-3-5-9-16(10)25-11-7-2-1-4-8(11)19(9)26-17-14(23)12(21)13(22)15(24)18(17)27-19/h1-7H
InChI Key:
BVIPIMZKUSIPNT-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1Oc1ccccc1C12Oc2c(O1)c(Cl)c(c(c2Cl)Cl)Cl
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.881g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.512g/mol
Monoisotopic Mass:
457.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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