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125635-08-7 | Benzene, (1,1-dimethylethyl)iodo-
CAS No: 125635-08-7 Catalog No: AG000O2I MDL No:
Product Description
Catalog Number:
AG000O2I
Chemical Name:
Benzene, (1,1-dimethylethyl)iodo-
CAS Number:
125635-08-7
Molecular Formula:
C10H13I
Molecular Weight:
260.1147
IUPAC Name:
1-tert-butyl-2-iodobenzene
InChI:
InChI=1S/C10H13I/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3
InChI Key:
MMFGMLZMUNVLHD-UHFFFAOYSA-N
SMILES:
Ic1ccccc1C(C)(C)C
Properties
Complexity:
123
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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