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88395-94-2 | Butanoic acid, 4-chloro-, undecyl ester
CAS No: 88395-94-2 Catalog No: AG004FD2 MDL No:
Product Description
Catalog Number:
AG004FD2
Chemical Name:
Butanoic acid, 4-chloro-, undecyl ester
CAS Number:
88395-94-2
Molecular Formula:
C15H29ClO2
Molecular Weight:
276.8426
IUPAC Name:
undecyl 4-chlorobutanoate
InChI:
InChI=1S/C15H29ClO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2-14H2,1H3
InChI Key:
KZEWKNYKRXBAPR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)CCCCl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.186g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.845g/mol
Monoisotopic Mass:
276.186g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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