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54509-71-6 | 1-Iodo-2,3,4,5-tetramethylbenzene
CAS No: 54509-71-6 Catalog No: AG003EFE MDL No:MFCD00052026
Product Description
Catalog Number:
AG003EFE
Chemical Name:
1-Iodo-2,3,4,5-tetramethylbenzene
CAS Number:
54509-71-6
Molecular Formula:
C10H13I
Molecular Weight:
260.1147
MDL Number:
MFCD00052026
IUPAC Name:
1-iodo-2,3,4,5-tetramethylbenzene
InChI:
InChI=1S/C10H13I/c1-6-5-10(11)9(4)8(3)7(6)2/h5H,1-4H3
InChI Key:
PSTRAAIJGQNXGR-UHFFFAOYSA-N
SMILES:
Cc1c(C)cc(c(c1C)C)I
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.118g/mol
Monoisotopic Mass:
260.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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