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89541-69-5 | 2(1H)-Pyrazinone, 5-(4-aminophenyl)-, hydrochloride
CAS No: 89541-69-5 Catalog No: AG0040HX MDL No:
Product Description
Catalog Number:
AG0040HX
Chemical Name:
2(1H)-Pyrazinone, 5-(4-aminophenyl)-, hydrochloride
CAS Number:
89541-69-5
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
IUPAC Name:
5-(4-aminophenyl)-1H-pyrazin-2-one;hydrochloride
InChI:
InChI=1S/C10H9N3O.ClH/c11-8-3-1-7(2-4-8)9-5-13-10(14)6-12-9;/h1-6H,11H2,(H,13,14);1H
InChI Key:
JPYDDFWXNLOCBF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1c[nH]c(=O)cn1.Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/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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