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141220-30-6 | Benzoic acid, 4-chloro-, tetradecyl ester
CAS No: 141220-30-6 Catalog No: AG001G3L MDL No:
Product Description
Catalog Number:
AG001G3L
Chemical Name:
Benzoic acid, 4-chloro-, tetradecyl ester
CAS Number:
141220-30-6
Molecular Formula:
C21H33ClO2
Molecular Weight:
352.9385
IUPAC Name:
tetradecyl 4-chlorobenzoate
InChI:
InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3
InChI Key:
DVGZGJLPBYEYPT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)c1ccc(cc1)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.217g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.943g/mol
Monoisotopic Mass:
352.217g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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