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116409-75-7 | Heptadecanoic acid, 16,17-dichloro-
CAS No: 116409-75-7 Catalog No: AG000CF6 MDL No:
Product Description
Catalog Number:
AG000CF6
Chemical Name:
Heptadecanoic acid, 16,17-dichloro-
CAS Number:
116409-75-7
Molecular Formula:
C17H32Cl2O2
Molecular Weight:
339.3408
IUPAC Name:
16,17-dichloroheptadecanoic acid
InChI:
InChI=1S/C17H32Cl2O2/c18-15-16(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-17(20)21/h16H,1-15H2,(H,20,21)
InChI Key:
ITMRXTONPIMQLR-UHFFFAOYSA-N
SMILES:
ClCC(CCCCCCCCCCCCCCC(=O)O)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.341g/mol
Monoisotopic Mass:
338.178g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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