4,4'-(Bromomethylene)bis(2,6-di-tert-butylphenol)

HCID 20162010

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Basic information

CAS: 79965-38-1
Standard SMILES: CC(C)(C)c1cc(C(Br)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey: NXTYGYLPNJTBQT-UHFFFAOYSA-N
Molecular formula: C29H43BrO2
Average molar mass: 503.6 g/mol
Monoisotopic mass: 502.24464272

Names & identifiers

Preferred name: 4,4'-(Bromomethylene)bis(2,6-di-tert-butylphenol)
IUPAC: 4-[bromo-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,6-ditert-butylphenol

Names & synonyms

SCHEMBL10363185DTXSID00119203279965-38-14,4'-(Bromomethylene)bis(2,6-di-tert-butylphenol)4,4a(2)-(Bromomethylene)bis[2,6-bis(1,1-dimethylethyl)phenol]

Database identifiers

CAS: 79965-38-1
PubChem CID: 20162010
DTXSID: DTXSID001192032

Properties

Computed structural properties

XLogP: 10.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 513

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