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73511-89-4 | 1,3-Benzenedicarboxylicacid, 5-cyano-2,4,6-triiodo-
CAS No: 73511-89-4 Catalog No: AG005NBL MDL No:
Product Description
Catalog Number:
AG005NBL
Chemical Name:
1,3-Benzenedicarboxylicacid, 5-cyano-2,4,6-triiodo-
CAS Number:
73511-89-4
Molecular Formula:
C9H2I3NO4
Molecular Weight:
568.8299
IUPAC Name:
5-cyano-2,4,6-triiodobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H2I3NO4/c10-5-2(1-13)6(11)4(9(16)17)7(12)3(5)8(14)15/h(H,14,15)(H,16,17)
InChI Key:
DAMMTPUDAGMEIL-UHFFFAOYSA-N
SMILES:
N#Cc1c(I)c(C(=O)O)c(c(c1I)C(=O)O)I
EC Number:
277-514-9
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.712g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
568.831g/mol
Monoisotopic Mass:
568.712g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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