2-bromo-4,6-di-tert-butylphenol

2-bromo-4,6-di-tert-butylphenol

CAS: 20834-61-1

Formula: C14H21BrO

SMILES: CC(C)(C)C1=CC(=C(O)C(Br)=C1)C(C)(C)C

IUPAC: 2-bromo-4,6-di-tert-butylphenol

InChI: InChI=1S/C14H21BrO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3

Composition: C (58.95%), H (7.42%), Br (28.01%), O (5.61%)

Molar Mass: 285.225

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.077578
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	DIWZVAHZEOFSLS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	72.99
Topological Polar Surface Area	20.23
Polarizability	28.21
Ring Count	1
Rotatable Bond Count	2

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