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2876-13-3 | Pyridinium, 1-(phenylmethyl)-, chloride (1:1)
CAS No: 2876-13-3 Catalog No: AG002WE9 MDL No:
Product Description
Catalog Number:
AG002WE9
Chemical Name:
Pyridinium, 1-(phenylmethyl)-, chloride (1:1)
CAS Number:
2876-13-3
Molecular Formula:
C12H12ClN
Molecular Weight:
205.6834
IUPAC Name:
1-benzylpyridin-1-ium;chloride
InChI:
InChI=1S/C12H12N.ClH/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1-10H,11H2;1H/q+1;/p-1
InChI Key:
GNPSDJOWGWWXSS-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1ccccc1.[Cl-]
EC Number:
220-717-4
UNII:
90Q8L4GGC4
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.685g/mol
Monoisotopic Mass:
205.066g/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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