2-(4-bromophenoxy)-2-methylpropanoic acid

2-(4-bromophenoxy)-2-methylpropanoic acid

CAS: 7472-69-7

Formula: C10H11BrO3

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

IUPAC: 2-(4-bromophenoxy)-2-methylpropanoic acid

InChI: InChI=1S/C10H11BrO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)

Composition: C (46.36%), H (4.28%), Br (30.84%), O (18.52%)

Molar Mass: 259.099

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.989157
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NRDUHXQTTOHIJX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.44
Topological Polar Surface Area	46.53
Polarizability	21.79
Ring Count	1
Rotatable Bond Count	3

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