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126312-61-6 | Benzene, 2-iodo-1,3-dimethyl-5-(phenylmethoxy)-
CAS No: 126312-61-6 Catalog No: AG000SJS MDL No:MFCD09999252
Product Description
Catalog Number:
AG000SJS
Chemical Name:
Benzene, 2-iodo-1,3-dimethyl-5-(phenylmethoxy)-
CAS Number:
126312-61-6
Molecular Formula:
C15H15IO
Molecular Weight:
338.1835
MDL Number:
MFCD09999252
IUPAC Name:
2-iodo-1,3-dimethyl-5-phenylmethoxybenzene
InChI:
InChI=1S/C15H15IO/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChI Key:
ICHZYYGVAKLSCT-UHFFFAOYSA-N
SMILES:
Cc1cc(OCc2ccccc2)cc(c1I)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.188g/mol
Monoisotopic Mass:
338.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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