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89368-26-3 | Benzene, 2-iodo-3-methoxy-4-methyl-1-(1-methylethyl)-
CAS No: 89368-26-3 Catalog No: AG003X4J MDL No:
Product Description
Catalog Number:
AG003X4J
Chemical Name:
Benzene, 2-iodo-3-methoxy-4-methyl-1-(1-methylethyl)-
CAS Number:
89368-26-3
Molecular Formula:
C11H15IO
Molecular Weight:
290.1407
IUPAC Name:
3-iodo-2-methoxy-1-methyl-4-propan-2-ylbenzene
InChI:
InChI=1S/C11H15IO/c1-7(2)9-6-5-8(3)11(13-4)10(9)12/h5-7H,1-4H3
InChI Key:
LEFMPXMKWZRCGA-UHFFFAOYSA-N
SMILES:
COc1c(C)ccc(c1I)C(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.144g/mol
Monoisotopic Mass:
290.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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