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146448-18-2

146448-18-2 | Anthracenesulfonic acid, diiodo- (9CI)

CAS No: 146448-18-2 Catalog No: AG001E1R MDL No:

Product Description

Catalog Number:
AG001E1R
Chemical Name:
Anthracenesulfonic acid, diiodo- (9CI)
CAS Number:
146448-18-2
Molecular Formula:
C14H8I2O3S
Molecular Weight:
510.0855
IUPAC Name:
2,3-diiodoanthracene-1-sulfonic acid
InChI:
InChI=1S/C14H8I2O3S/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)14(13(12)16)20(17,18)19/h1-7H,(H,17,18,19)
InChI Key:
ZRCMJCYHMVQQCN-UHFFFAOYSA-N
SMILES:
Ic1cc2cc3ccccc3cc2c(c1I)S(=O)(=O)O

Properties

Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.828g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
510.084g/mol
Monoisotopic Mass:
509.828g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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