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75908-75-7 | Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo-
CAS No: 75908-75-7 Catalog No: AG005TC5 MDL No:
Product Description
Catalog Number:
AG005TC5
Chemical Name:
Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo-
CAS Number:
75908-75-7
Molecular Formula:
C10H12I2O
Molecular Weight:
402.0106
IUPAC Name:
4-tert-butyl-2,6-diiodophenol
InChI:
InChI=1S/C10H12I2O/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3
InChI Key:
CZMBOODZJMDOJH-UHFFFAOYSA-N
SMILES:
Oc1c(I)cc(cc1I)C(C)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.898g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.014g/mol
Monoisotopic Mass:
401.898g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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