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89541-51-5 | 2(1H)-Pyrazinone, 5-(4-aminophenyl)-3-methyl-, hydrobromide
CAS No: 89541-51-5 Catalog No: AG00875S MDL No:
Product Description
Catalog Number:
AG00875S
Chemical Name:
2(1H)-Pyrazinone, 5-(4-aminophenyl)-3-methyl-, hydrobromide
CAS Number:
89541-51-5
Molecular Formula:
C11H12BrN3O
Molecular Weight:
282.1365
IUPAC Name:
5-(4-aminophenyl)-3-methyl-1H-pyrazin-2-one;hydrobromide
InChI:
InChI=1S/C11H11N3O.BrH/c1-7-11(15)13-6-10(14-7)8-2-4-9(12)5-3-8;/h2-6H,12H2,1H3,(H,13,15);1H
InChI Key:
BDBBAMOQLGYPTH-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1c[nH]c(=O)c(n1)C.Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.141g/mol
Monoisotopic Mass:
281.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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