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3-(2-bromoprop-2-en-1-yl)phenyl acetate

3-(2-bromoprop-2-en-1-yl)phenyl acetate

CAS: 890097-81-1

Formula: C11H11BrO2

SMILES: CC(=O)OC1=CC(CC(Br)=C)=CC=C1

IUPAC: 3-(2-bromoprop-2-en-1-yl)phenyl acetate

InChI: InChI=1S/C11H11BrO2/c1-8(12)6-10-4-3-5-11(7-10)14-9(2)13/h3-5,7H,1,6H2,2H3

Composition: C (51.79%), H (4.35%), Br (31.32%), O (12.54%)

Molar Mass: 255.111

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.994243
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WUUJVSDFFJSZNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.17
Topological Polar Surface Area 26.3
Polarizability 22.74
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 890097-81-1 $661.25-$2,128.65$661.25$891.25$2,128.65
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