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88395-90-8 | Butanoic acid, 3-chloro-, tetradecyl ester
CAS No: 88395-90-8 Catalog No: AG004LHF MDL No:
Product Description
Catalog Number:
AG004LHF
Chemical Name:
Butanoic acid, 3-chloro-, tetradecyl ester
CAS Number:
88395-90-8
Molecular Formula:
C18H35ClO2
Molecular Weight:
318.9223
IUPAC Name:
tetradecyl 3-chlorobutanoate
InChI:
InChI=1S/C18H35ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-18(20)16-17(2)19/h17H,3-16H2,1-2H3
InChI Key:
VPACIBXKLYDYCC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)CC(Cl)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.233g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.926g/mol
Monoisotopic Mass:
318.233g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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