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2100-23-4 | Benzene, 1-iodo-2,4,5-trimethyl-
CAS No: 2100-23-4 Catalog No: AG002KJD MDL No:MFCD00155010
Product Description
Catalog Number:
AG002KJD
Chemical Name:
Benzene, 1-iodo-2,4,5-trimethyl-
CAS Number:
2100-23-4
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
MDL Number:
MFCD00155010
IUPAC Name:
1-iodo-2,4,5-trimethylbenzene
InChI:
InChI=1S/C9H11I/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3
InChI Key:
SDZOPOGDVMNRFA-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c(cc1C)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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