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113674-73-0 | Acetamide, N-(6-amino-4-chloro-1-oxido-2-pyrimidinyl)-
CAS No: 113674-73-0 Catalog No: AG00099F MDL No:
Product Description
Catalog Number:
AG00099F
Chemical Name:
Acetamide, N-(6-amino-4-chloro-1-oxido-2-pyrimidinyl)-
CAS Number:
113674-73-0
Molecular Formula:
C6H7ClN4O2
Molecular Weight:
202.5984
IUPAC Name:
N-acetyl-4-amino-6-chloropyrimidin-2-amine oxide
InChI:
InChI=1S/C6H7ClN4O2/c1-3(12)11(13)6-9-4(7)2-5(8)10-6/h2,11H,1H3,(H2,8,9,10)
InChI Key:
VNLJLUKCEXQOGE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(Cl)cc([n+]1[O-])N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.598g/mol
Monoisotopic Mass:
202.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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