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(2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

(2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

CAS: 6552-63-2

Formula: C16H13ClO2

SMILES: COC1=CC=C(C=CC(=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: (2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

InChI: InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+

Composition: C (70.46%), H (4.80%), Cl (13.00%), O (11.73%)

Molar Mass: 272.73

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.0604074
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KGKFNDADSPFRCJ-NYYWCZLTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.14
Topological Polar Surface Area 26.3
Polarizability 29.63
Ring Count 2
Rotatable Bond Count 4

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