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4-chlorophenyl benzoate

4-chlorophenyl benzoate

CAS: 2005-08-5

Formula: C13H9ClO2

SMILES: ClC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1

IUPAC: 4-chlorophenyl benzoate

InChI: InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H

Composition: C (67.11%), H (3.90%), Cl (15.24%), O (13.75%)

Molar Mass: 232.66

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.0291072
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JKSIXXOEIXUYFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.67
Topological Polar Surface Area 26.3
Polarizability 24.34
Ring Count 2
Rotatable Bond Count 3

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