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88395-96-4 | Butanoic acid, 4-chloro-, octadecyl ester
CAS No: 88395-96-4 Catalog No: AG004IB8 MDL No:
Product Description
Catalog Number:
AG004IB8
Chemical Name:
Butanoic acid, 4-chloro-, octadecyl ester
CAS Number:
88395-96-4
Molecular Formula:
C22H43ClO2
Molecular Weight:
375.0286
IUPAC Name:
octadecyl 4-chlorobutanoate
InChI:
InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22(24)19-18-20-23/h2-21H2,1H3
InChI Key:
PENLVWCLIVDARD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.295g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.034g/mol
Monoisotopic Mass:
374.295g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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