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2589-31-3 | 1-Benzylpyridin-1-ium bromide
CAS No: 2589-31-3 Catalog No: AG01EUMT MDL No:
Product Description
Catalog Number:
AG01EUMT
Chemical Name:
1-Benzylpyridin-1-ium bromide
CAS Number:
2589-31-3
Molecular Formula:
C12H12BrN
Molecular Weight:
250.1344
IUPAC Name:
1-benzylpyridin-1-ium;bromide
InChI:
InChI=1S/C12H12N.BrH/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:
GLWHCXRACKOPRO-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1ccccc1.[Br-]
NSC Number:
86449
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.139g/mol
Monoisotopic Mass:
249.015g/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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