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4-Chlorophenyl benzoate

Catalog Number
ACM2005085
CAS Number
2005-08-5
Product Name
4-Chlorophenyl benzoate
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
(4-chlorophenyl) benzoate
Molecular Weight
232.66g/mol
Molecular Formula
C13H9ClO2
Canonical SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H
InChI Key
JKSIXXOEIXUYFW-UHFFFAOYSA-N
Complexity
228
Covalently-Bonded Unit Count
1
EC Number
217-910-0
Exact Mass
232.029107g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
232.029107g/mol
NSC Number
406605
Rotatable Bond Count
3
XLogP3
4.2
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