3-(4-bromophenoxy)propan-1-ol

3-(4-bromophenoxy)propan-1-ol

CAS: 67900-64-5

Formula: C9H11BrO2

SMILES: OCCCOC1=CC=C(Br)C=C1

IUPAC: 3-(4-bromophenoxy)propan-1-ol

InChI: InChI=1S/C9H11BrO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2

Composition: C (46.78%), H (4.80%), Br (34.58%), O (13.85%)

Molar Mass: 231.089

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.994243
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PFKPRUNICVIARC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.3
Topological Polar Surface Area	29.46
Polarizability	19.97
Ring Count	1
Rotatable Bond Count	4

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96%	<7 Days	67900-64-5		$68.31-$257.72$68.31$130.41$257.72