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

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

CAS: 890097-72-0

Formula: C12H13ClO2

SMILES: CC(=O)OC1=CC=CC=C1CCC(Cl)=C

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

InChI: InChI=1S/C12H13ClO2/c1-9(13)7-8-11-5-3-4-6-12(11)15-10(2)14/h3-6H,1,7-8H2,2H3

Composition: C (64.15%), H (5.83%), Cl (15.78%), O (14.24%)

Molar Mass: 224.68

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.0604074
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LNJXHLYVESVTJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.95
Topological Polar Surface Area 26.3
Polarizability 23.63
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 890097-72-0 $661.25-$2,128.65$661.25$891.25$2,128.65
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