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100246-69-3 | Octanoyl chloride, 2-butyl-
CAS No: 100246-69-3 Catalog No: AG0001DF MDL No:
Product Description
Catalog Number:
AG0001DF
Chemical Name:
Octanoyl chloride, 2-butyl-
CAS Number:
100246-69-3
Molecular Formula:
C12H23ClO
Molecular Weight:
218.7634
IUPAC Name:
2-butyloctanoyl chloride
InChI:
InChI=1S/C12H23ClO/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3
InChI Key:
RWUTXZOKQFXNQM-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)Cl)CCCC
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.144g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.765g/mol
Monoisotopic Mass:
218.144g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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