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31599-61-8 | Benzene, 4-iodo-1,2-dimethyl-
CAS No: 31599-61-8 Catalog No: AG00I5ZM MDL No:MFCD00040989
Product Description
Catalog Number:
AG00I5ZM
Chemical Name:
Benzene, 4-iodo-1,2-dimethyl-
CAS Number:
31599-61-8
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD00040989
IUPAC Name:
4-iodo-1,2-dimethylbenzene
InChI:
InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
InChI Key:
CSFRCLYFVINMBZ-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C)C
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.064g/mol
Monoisotopic Mass:
231.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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