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88016-24-4 | Decanoic acid, 4-butyl-2-chloro-, methyl ester
CAS No: 88016-24-4 Catalog No: AG004JST MDL No:
Product Description
Catalog Number:
AG004JST
Chemical Name:
Decanoic acid, 4-butyl-2-chloro-, methyl ester
CAS Number:
88016-24-4
Molecular Formula:
C15H29ClO2
Molecular Weight:
276.8426
IUPAC Name:
methyl 4-butyl-2-chlorodecanoate
InChI:
InChI=1S/C15H29ClO2/c1-4-6-8-9-11-13(10-7-5-2)12-14(16)15(17)18-3/h13-14H,4-12H2,1-3H3
InChI Key:
INYLNWFWBGPMJH-UHFFFAOYSA-N
SMILES:
CCCCC(CC(C(=O)OC)Cl)CCCCCC
Properties
Complexity:
207
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:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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