4-(4-bromophenoxymethyl)oxane

4-(4-bromophenoxymethyl)oxane

CAS: 1247383-27-2

Formula: C12H15BrO2

SMILES: BrC1=CC=C(OCC2CCOCC2)C=C1

IUPAC: 4-[(4-bromophenoxy)methyl]oxane

InChI: InChI=1S/C12H15BrO2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-4,10H,5-9H2

Composition: C (53.16%), H (5.58%), Br (29.47%), O (11.80%)

Molar Mass: 271.154

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.025543
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CRGSWKUNFYCFDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.44
Topological Polar Surface Area	18.46
Polarizability	24.79
Ring Count	2
Rotatable Bond Count	3

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