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186583-59-5 | Benzene, 1-iodo-2-methoxy-4-methyl-
CAS No: 186583-59-5 Catalog No: AG0075LG MDL No:MFCD12547792
Product Description
Catalog Number:
AG0075LG
Chemical Name:
Benzene, 1-iodo-2-methoxy-4-methyl-
CAS Number:
186583-59-5
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD12547792
IUPAC Name:
1-iodo-2-methoxy-4-methylbenzene
InChI:
InChI=1S/C8H9IO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3
InChI Key:
LVDHTYMXUHPTOP-UHFFFAOYSA-N
SMILES:
COc1cc(C)ccc1I
NSC Number:
158995
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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