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88168-99-4 | Propanoic acid, 3-chloro-, octadecyl ester
CAS No: 88168-99-4 Catalog No: AG004DTG MDL No:
Product Description
Catalog Number:
AG004DTG
Chemical Name:
Propanoic acid, 3-chloro-, octadecyl ester
CAS Number:
88168-99-4
Molecular Formula:
C21H41ClO2
Molecular Weight:
361.0020
IUPAC Name:
octadecyl 3-chloropropanoate
InChI:
InChI=1S/C21H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21(23)18-19-22/h2-20H2,1H3
InChI Key:
IWNDNJGFFCNPKN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCCl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.28g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.007g/mol
Monoisotopic Mass:
360.28g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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