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Home > Fluorides > 133342-43-5
133342-43-5 | Phenol, 2-(1,1-dimethylethyl)-6-fluoro-
CAS No: 133342-43-5 Catalog No: AG0014PW MDL No:MFCD16996875
Product Description
Catalog Number:
AG0014PW
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-6-fluoro-
CAS Number:
133342-43-5
Molecular Formula:
C10H13FO
Molecular Weight:
168.2080
MDL Number:
MFCD16996875
IUPAC Name:
2-tert-butyl-6-fluorophenol
InChI:
InChI=1S/C10H13FO/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3
InChI Key:
HXSHBPODBUFXPT-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1O)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:
168.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.211g/mol
Monoisotopic Mass:
168.095g/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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