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102584-08-7 | Pyridinium, 1-[[(3-methoxybenzoyl)amino]methyl]-, chloride (1:1)
CAS No: 102584-08-7 Catalog No: AG0007TM MDL No:
Product Description
Catalog Number:
AG0007TM
Chemical Name:
Pyridinium, 1-[[(3-methoxybenzoyl)amino]methyl]-, chloride (1:1)
CAS Number:
102584-08-7
Molecular Formula:
C14H15ClN2O2
Molecular Weight:
278.7341
IUPAC Name:
3-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide;chloride;hydrate
InChI:
InChI=1S/C14H14N2O2.ClH.H2O/c1-18-13-7-5-6-12(10-13)14(17)15-11-16-8-3-2-4-9-16;;/h2-10H,11H2,1H3;1H;1H2
InChI Key:
BJZATVGMCNEIDF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)NC[n+]1ccccc1.[Cl-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.751g/mol
Monoisotopic Mass:
296.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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