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89209-02-9 | Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-
CAS No: 89209-02-9 Catalog No: AG0088S8 MDL No:
Product Description
Catalog Number:
AG0088S8
Chemical Name:
Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-
CAS Number:
89209-02-9
Molecular Formula:
C14H21IO
Molecular Weight:
332.2204
IUPAC Name:
2,4-ditert-butyl-6-iodophenol
InChI:
InChI=1S/C14H21IO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3
InChI Key:
XAKFDUNVLYZUFO-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1O)C(C)(C)C)C(C)(C)C
EC Number:
618-257-8
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.225g/mol
Monoisotopic Mass:
332.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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