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145235-84-3 | Phenol, 4-iodo-3,5-dimethyl-, 1-acetate
CAS No: 145235-84-3 Catalog No: AG001KOP MDL No:MFCD00800935
Product Description
Catalog Number:
AG001KOP
Chemical Name:
Phenol, 4-iodo-3,5-dimethyl-, 1-acetate
CAS Number:
145235-84-3
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD00800935
IUPAC Name:
(4-iodo-3,5-dimethylphenyl) acetate
InChI:
InChI=1S/C10H11IO2/c1-6-4-9(13-8(3)12)5-7(2)10(6)11/h4-5H,1-3H3
InChI Key:
VUJNBUMSARWZPN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(C)c(c(c1)C)I
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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