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38941-98-9 | 4-(tert-Butyl)-2-iodophenol
CAS No: 38941-98-9 Catalog No: AG00CLBL MDL No:MFCD11035758
Product Description
Catalog Number:
AG00CLBL
Chemical Name:
4-(tert-Butyl)-2-iodophenol
CAS Number:
38941-98-9
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
MDL Number:
MFCD11035758
IUPAC Name:
4-tert-butyl-2-iodophenol
InChI:
InChI=1S/C10H13IO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChI Key:
DTNQNHHVSJPDSG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1I)C(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.117g/mol
Monoisotopic Mass:
276.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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