3-Bromo-5-tert-butyl-4-hydroxybenzonitrile

3-bromo-5-tert-butyl-4-hydroxybenzonitrile

CAS: 4910-06-9

Molecular Formula	`C11H12BrNO`
Molecular Weight	254.12 g/mol
LogP	3.6
Topological Polar Surface Area	44.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	253.01022
Heavy Atoms	14
Complexity	250.0

Chemical Identifiers

CAS Number	4910-06-9
SMILES	`CC(C)(C)C1=C(C(=CC(=C1)C#N)Br)O`
InChIKey	`VNGBEYAOVIWICC-UHFFFAOYSA-N`

📖 Product Overview

3-Bromo-5-tert-butyl-4-hydroxybenzonitrile (CAS: 4910-06-9) is a chemical compound with molecular formula C11H12BrNO and molecular weight 254.12 g/mol. Its IUPAC systematic name is 3-bromo-5-tert-butyl-4-hydroxybenzonitrile. LogP 3.6 Topological Polar Surface Area 44.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 253.01022 Heavy Atoms 14 Complexity 250.0 InChI Key: VNGBEYAOVIWICC-UHFFFAOYSA-N. SMILES: CC(C)(C)C1=C(C(=CC(=C1)C#N)Br)O.

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