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tert-butyl 4-bromo-2-ethylbenzoate

tert-butyl 4-bromo-2-ethylbenzoate

CAS: 1361938-72-8

Formula: C13H17BrO2

SMILES: CCC1=CC(Br)=CC=C1C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-bromo-2-ethylbenzoate

InChI: InChI=1S/C13H17BrO2/c1-5-9-8-10(14)6-7-11(9)12(15)16-13(2,3)4/h6-8H,5H2,1-4H3

Composition: C (54.75%), H (6.01%), Br (28.02%), O (11.22%)

Molar Mass: 285.181

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 284.041193
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OMPSCGHNVBUJTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.15
Topological Polar Surface Area 26.3
Polarizability 26.63
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1361938-72-8 $243.80-$4,597.70$243.80$373.75$631.35$1,147.70$4,597.70
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