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27703-70-4

27703-70-4 | Benzoic acid, 4-chloro-, octyl ester

CAS No: 27703-70-4 Catalog No: AG002UJ2 MDL No:

Product Description

Catalog Number:
AG002UJ2
Chemical Name:
Benzoic acid, 4-chloro-, octyl ester
CAS Number:
27703-70-4
Molecular Formula:
C15H21ClO2
Molecular Weight:
268.7790
IUPAC Name:
octyl 4-chlorobenzoate
InChI:
InChI=1S/C15H21ClO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3
InChI Key:
JIAKTPQRGQDKAH-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1ccc(cc1)Cl

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.123g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.781g/mol
Monoisotopic Mass:
268.123g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

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