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ethyl 4-(4-chlorophenyl)but-2-enoate

ethyl 4-(4-chlorophenyl)but-2-enoate

CAS: 1105703-73-8

Formula: C12H13ClO2

SMILES: CCOC(=O)C=CCC1=CC=C(Cl)C=C1

IUPAC: ethyl 4-(4-chlorophenyl)but-2-enoate

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

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 DFCNNAZQKCVOON-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.98
Topological Polar Surface Area 26.3
Polarizability 23.76
Ring Count 1
Rotatable Bond Count 5

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