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90812-70-7 | [(3-iodo-1-methylpropoxy)methyl]benzene
CAS No: 90812-70-7 Catalog No: AG00H4N9 MDL No:
Product Description
Catalog Number:
AG00H4N9
Chemical Name:
[(3-iodo-1-methylpropoxy)methyl]benzene
CAS Number:
90812-70-7
IUPAC Name:
4-iodobutan-2-yloxymethylbenzene
InChI:
InChI=1S/C11H15IO/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChI Key:
QKUNCQLBVKCKDJ-UHFFFAOYSA-N
Properties
Complexity:
121
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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