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1017608-20-6 | Phenol, 4-iodo-3-(1-methylethyl)-
CAS No: 1017608-20-6 Catalog No: AG0005EX MDL No:MFCD11101057
Product Description
Catalog Number:
AG0005EX
Chemical Name:
Phenol, 4-iodo-3-(1-methylethyl)-
CAS Number:
1017608-20-6
Molecular Formula:
C9H11IO
Molecular Weight:
262.0875
MDL Number:
MFCD11101057
IUPAC Name:
4-iodo-3-propan-2-ylphenol
InChI:
InChI=1S/C9H11IO/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6,11H,1-2H3
InChI Key:
ASGJFGTVILJXCK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(C)C)I
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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