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921595-62-2 | Benzene, 1,2,4-triiodomethyl-
CAS No: 921595-62-2 Catalog No: AG00658A MDL No:
Product Description
Catalog Number:
AG00658A
Chemical Name:
Benzene, 1,2,4-triiodomethyl-
CAS Number:
921595-62-2
Molecular Formula:
C9H9I3
Molecular Weight:
497.8812
IUPAC Name:
1,2,4-tris(iodomethyl)benzene
InChI:
InChI=1S/C9H9I3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H,4-6H2
InChI Key:
OWDDUQHUNGBIMN-UHFFFAOYSA-N
SMILES:
ICc1ccc(c(c1)CI)CI
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.784g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.884g/mol
Monoisotopic Mass:
497.784g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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