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139289-65-9 | Benzene, 1,4-bis(chloromethyl)-2,5-bis(pentyloxy)-
CAS No: 139289-65-9 Catalog No: AG001AP5 MDL No:
Product Description
Catalog Number:
AG001AP5
Chemical Name:
Benzene, 1,4-bis(chloromethyl)-2,5-bis(pentyloxy)-
CAS Number:
139289-65-9
Molecular Formula:
C18H28Cl2O2
Molecular Weight:
347.3197
IUPAC Name:
1,4-bis(chloromethyl)-2,5-dipentoxybenzene
InChI:
InChI=1S/C18H28Cl2O2/c1-3-5-7-9-21-17-11-16(14-20)18(12-15(17)13-19)22-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChI Key:
USXABPDRFAXDBG-UHFFFAOYSA-N
SMILES:
ClCc1cc(OCCCCC)c(cc1OCCCCC)CCl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.32g/mol
Monoisotopic Mass:
346.147g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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