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7041-40-9 | Pyridinium, 1-[1-(chloromethyl)undecyl]-, chloride
CAS No: 7041-40-9 Catalog No: AG005IYL MDL No:
Product Description
Catalog Number:
AG005IYL
Chemical Name:
Pyridinium, 1-[1-(chloromethyl)undecyl]-, chloride
CAS Number:
7041-40-9
Molecular Formula:
C17H29Cl2N
Molecular Weight:
318.3249
IUPAC Name:
1-(1-chlorododecan-2-yl)pyridin-1-ium;chloride
InChI:
InChI=1S/C17H29ClN.ClH/c1-2-3-4-5-6-7-8-10-13-17(16-18)19-14-11-9-12-15-19;/h9,11-12,14-15,17H,2-8,10,13,16H2,1H3;1H/q+1;/p-1
InChI Key:
RVXZWWPNOCFKLQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCC([n+]1ccccc1)CCl.[Cl-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.326g/mol
Monoisotopic Mass:
317.168g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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