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14386-64-2 | Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-bromo-
CAS No: 14386-64-2 Catalog No: AG001IIJ MDL No:MFCD00173889
Product Description
Catalog Number:
AG001IIJ
Chemical Name:
Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-bromo-
CAS Number:
14386-64-2
Molecular Formula:
C16H23BrO2
Molecular Weight:
327.2566
MDL Number:
MFCD00173889
IUPAC Name:
2-bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
InChI:
InChI=1S/C16H23BrO2/c1-15(2,3)11-7-10(13(18)9-17)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3
InChI Key:
UYPXQSLSPUBZQW-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.262g/mol
Monoisotopic Mass:
326.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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