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4-(benzyloxy)-1-bromo-2-methylbenzene

4-(benzyloxy)-1-bromo-2-methylbenzene

CAS: 17671-75-9

Formula: C14H13BrO

SMILES: CC1=C(Br)C=CC(OCC2=CC=CC=C2)=C1

IUPAC: 4-(benzyloxy)-1-bromo-2-methylbenzene

InChI: InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

Composition: C (60.67%), H (4.73%), Br (28.83%), O (5.77%)

Molar Mass: 277.161

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.014978
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KOLLVAZFQFRSHI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.8
Topological Polar Surface Area 9.23
Polarizability 26.88
Ring Count 2
Rotatable Bond Count 3

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