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52386-11-5 | 6-Amino-2-chloropyrimidin-4(3H);-one
CAS No: 52386-11-5 Catalog No: AG003N2A MDL No:MFCD11046964
Product Description
Catalog Number:
AG003N2A
Chemical Name:
6-Amino-2-chloropyrimidin-4(3H);-one
CAS Number:
52386-11-5
Molecular Formula:
C4H4ClN3O
Molecular Weight:
145.5471
MDL Number:
MFCD11046964
IUPAC Name:
4-amino-2-chloro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H4ClN3O/c5-4-7-2(6)1-3(9)8-4/h1H,(H3,6,7,8,9)
InChI Key:
CZOBFXHVXPTWPT-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]c(n1)Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.546g/mol
Monoisotopic Mass:
145.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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