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88395-87-3 | Butanoic acid, 3-chloro-, decyl ester
CAS No: 88395-87-3 Catalog No: AG004FD6 MDL No:
Product Description
Catalog Number:
AG004FD6
Chemical Name:
Butanoic acid, 3-chloro-, decyl ester
CAS Number:
88395-87-3
Molecular Formula:
C14H27ClO2
Molecular Weight:
262.8160
IUPAC Name:
decyl 3-chlorobutanoate
InChI:
InChI=1S/C14H27ClO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)12-13(2)15/h13H,3-12H2,1-2H3
InChI Key:
GRLOZYLUGJAYTF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CC(Cl)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.818g/mol
Monoisotopic Mass:
262.17g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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