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116450-05-6 | 4-Pyrimidinamine, 6-bromo-2,3-dihydro-3-hydroxy-2-imino-
CAS No: 116450-05-6 Catalog No: AG000CIA MDL No:
Product Description
Catalog Number:
AG000CIA
Chemical Name:
4-Pyrimidinamine, 6-bromo-2,3-dihydro-3-hydroxy-2-imino-
CAS Number:
116450-05-6
Molecular Formula:
C4H5BrN4O
Molecular Weight:
205.0127
IUPAC Name:
6-bromo-3-hydroxy-2-iminopyrimidin-4-amine
InChI:
InChI=1S/C4H5BrN4O/c5-2-1-3(6)9(10)4(7)8-2/h1,7,10H,6H2
InChI Key:
WOTPTUYHTAPCBA-UHFFFAOYSA-N
SMILES:
Nc1cc(Br)nc(=N)n1O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.015g/mol
Monoisotopic Mass:
203.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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