1-bromo-4-(tert-butoxy)benzene

1-bromo-4-(tert-butoxy)benzene

CAS: 60876-70-2

Formula: C10H13BrO

SMILES: CC(C)(C)OC1=CC=C(Br)C=C1

IUPAC: 1-bromo-4-(tert-butoxy)benzene

InChI: InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

Composition: C (52.42%), H (5.72%), Br (34.87%), O (6.98%)

Molar Mass: 229.117

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.014978
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QIWQHUCUWNGYDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.95
Topological Polar Surface Area	9.23
Polarizability	21.1
Ring Count	1
Rotatable Bond Count	2

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