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113700-10-0 | Pyridinium, 1-[chloro(4-methylphenyl)methyl]-3-methyl-, chloride (1:1)
CAS No: 113700-10-0 Catalog No: AG0009DO MDL No:
Product Description
Catalog Number:
AG0009DO
Chemical Name:
Pyridinium, 1-[chloro(4-methylphenyl)methyl]-3-methyl-, chloride (1:1)
CAS Number:
113700-10-0
Molecular Formula:
C14H15Cl2N
Molecular Weight:
268.1816
IUPAC Name:
1-[chloro-(4-methylphenyl)methyl]-3-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C14H15ClN.ClH/c1-11-5-7-13(8-6-11)14(15)16-9-3-4-12(2)10-16;/h3-10,14H,1-2H3;1H/q+1;/p-1
InChI Key:
KAHIDDNUUQTPTK-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C([n+]1cccc(c1)C)Cl.[Cl-]
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.181g/mol
Monoisotopic Mass:
267.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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