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30004-39-8 | 4-methyl-benzylpyridinium chloride
CAS No: 30004-39-8 Catalog No: AG003LRM MDL No:
Product Description
Catalog Number:
AG003LRM
Chemical Name:
4-methyl-benzylpyridinium chloride
CAS Number:
30004-39-8
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
IUPAC Name:
1-[(4-methylphenyl)methyl]pyridin-1-ium;chloride
InChI:
InChI=1S/C13H14N.ClH/c1-12-5-7-13(8-6-12)11-14-9-3-2-4-10-14;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
IKDPUGYLVANLPL-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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