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119650-45-2 | Benzenemethanol, 2-iodo-3-methoxy-5-methyl-
CAS No: 119650-45-2 Catalog No: AG000PEQ MDL No:
Product Description
Catalog Number:
AG000PEQ
Chemical Name:
Benzenemethanol, 2-iodo-3-methoxy-5-methyl-
CAS Number:
119650-45-2
Molecular Formula:
C9H11IO2
Molecular Weight:
278.0869
IUPAC Name:
(2-iodo-3-methoxy-5-methylphenyl)methanol
InChI:
InChI=1S/C9H11IO2/c1-6-3-7(5-11)9(10)8(4-6)12-2/h3-4,11H,5H2,1-2H3
InChI Key:
XJQLATKVZYCYAC-UHFFFAOYSA-N
SMILES:
OCc1cc(C)cc(c1I)OC
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.089g/mol
Monoisotopic Mass:
277.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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