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tert-butyl 2-(3-bromophenyl)acetate

tert-butyl 2-(3-bromophenyl)acetate

CAS: 197792-52-2

Formula: C12H15BrO2

SMILES: CC(C)(C)OC(=O)CC1=CC=CC(Br)=C1

IUPAC: tert-butyl 2-(3-bromophenyl)acetate

InChI: InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3

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 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IUQYZZLJRJUKIH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.56
Topological Polar Surface Area 26.3
Polarizability 24.9
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 197792-52-2 $77.76-$1,104.96$77.76$276.48$1,104.96
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95% <5 Days 197792-52-2 $27.74-$342.99$27.74$40.35$97.10$342.99
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