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3853-91-6 | 1-Iodo-2,3,4,5,6-pentamethylbenzene
CAS No: 3853-91-6 Catalog No: AG003TM3 MDL No:MFCD00015446
Product Description
Catalog Number:
AG003TM3
Chemical Name:
1-Iodo-2,3,4,5,6-pentamethylbenzene
CAS Number:
3853-91-6
Molecular Formula:
C11H15I
Molecular Weight:
274.1413
MDL Number:
MFCD00015446
IUPAC Name:
1-iodo-2,3,4,5,6-pentamethylbenzene
InChI:
InChI=1S/C11H15I/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
InChI Key:
UXHBVYKGPRUHKM-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(C)c(c(c1C)I)C
EC Number:
223-360-2
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.145g/mol
Monoisotopic Mass:
274.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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