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1261906-29-9 | 2(1H)-Pyridinone, 3-amino-5-chloro-, hydrochloride (1:1)
CAS No: 1261906-29-9 Catalog No: AG000S5F MDL No:MFCD18311909
Product Description
Catalog Number:
AG000S5F
Chemical Name:
2(1H)-Pyridinone, 3-amino-5-chloro-, hydrochloride (1:1)
CAS Number:
1261906-29-9
Molecular Formula:
C5H6Cl2N2O
Molecular Weight:
181.0199
MDL Number:
MFCD18311909
IUPAC Name:
3-amino-5-chloro-1H-pyridin-2-one;hydrochloride
InChI:
InChI=1S/C5H5ClN2O.ClH/c6-3-1-4(7)5(9)8-2-3;/h1-2H,7H2,(H,8,9);1H
InChI Key:
UIJBMVGLKKCQFX-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)c[nH]c1=O.Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.016g/mol
Monoisotopic Mass:
179.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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