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116409-73-5 | Benzenepentadecanoic acid, 3,4-dichloro-
CAS No: 116409-73-5 Catalog No: AG000CF8 MDL No:
Product Description
Catalog Number:
AG000CF8
Chemical Name:
Benzenepentadecanoic acid, 3,4-dichloro-
CAS Number:
116409-73-5
Molecular Formula:
C21H32Cl2O2
Molecular Weight:
387.3836
IUPAC Name:
15-(3,4-dichlorophenyl)pentadecanoic acid
InChI:
InChI=1S/C21H32Cl2O2/c22-19-16-15-18(17-20(19)23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(24)25/h15-17H,1-14H2,(H,24,25)
InChI Key:
FYSQGGGVGFUGIY-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCCCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.385g/mol
Monoisotopic Mass:
386.178g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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