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87322-89-2 | 1,3-Benzenedicarbonyl dichloride, 5-(octyloxy)-
CAS No: 87322-89-2 Catalog No: AG004L23 MDL No:
Product Description
Catalog Number:
AG004L23
Chemical Name:
1,3-Benzenedicarbonyl dichloride, 5-(octyloxy)-
CAS Number:
87322-89-2
Molecular Formula:
C16H20Cl2O3
Molecular Weight:
331.2342
IUPAC Name:
5-octoxybenzene-1,3-dicarbonyl chloride
InChI:
InChI=1S/C16H20Cl2O3/c1-2-3-4-5-6-7-8-21-14-10-12(15(17)19)9-13(11-14)16(18)20/h9-11H,2-8H2,1H3
InChI Key:
ZZSUXLFQCYSESS-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(cc(c1)C(=O)Cl)C(=O)Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.233g/mol
Monoisotopic Mass:
330.079g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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