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3-(2-bromoethyl)phenol

3-(2-bromoethyl)phenol

CAS: 52059-50-4

Formula: C8H9BrO

SMILES: OC1=CC(CCBr)=CC=C1

IUPAC: 3-(2-bromoethyl)phenol

InChI: InChI=1S/C8H9BrO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5H2

Composition: C (47.79%), H (4.51%), Br (39.74%), O (7.96%)

Molar Mass: 201.063

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.983678
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PFGNESVRGGEZCB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.64
Topological Polar Surface Area 20.23
Polarizability 17.24
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 52059-50-4 $1,486.00-$2,228.00$1,486.00$2,228.00
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