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1259478-70-0 | 2-Pyrazinamine, 5-chloro-3-ethoxy-
CAS No: 1259478-70-0 Catalog No: AG000QL9 MDL No:MFCD18070780
Product Description
Catalog Number:
AG000QL9
Chemical Name:
2-Pyrazinamine, 5-chloro-3-ethoxy-
CAS Number:
1259478-70-0
Molecular Formula:
C6H8ClN3O
Molecular Weight:
173.6002
MDL Number:
MFCD18070780
IUPAC Name:
5-chloro-3-ethoxypyrazin-2-amine
InChI:
InChI=1S/C6H8ClN3O/c1-2-11-6-5(8)9-3-4(7)10-6/h3H,2H2,1H3,(H2,8,9)
InChI Key:
ZLSQWTANNRJECS-UHFFFAOYSA-N
SMILES:
CCOc1nc(Cl)cnc1N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.6g/mol
Monoisotopic Mass:
173.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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