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2327-83-5 | Butanoic acid, 4-chloro-, tetradecyl ester
CAS No: 2327-83-5 Catalog No: AG002MQE MDL No:
Product Description
Catalog Number:
AG002MQE
Chemical Name:
Butanoic acid, 4-chloro-, tetradecyl ester
CAS Number:
2327-83-5
Molecular Formula:
C18H35ClO2
Molecular Weight:
318.9223
IUPAC Name:
tetradecyl 4-chlorobutanoate
InChI:
InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-21-18(20)15-14-16-19/h2-17H2,1H3
InChI Key:
WSGHRRURYBZEDT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCl
Properties
Complexity:
219
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:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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