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188533-15-5 | 3-Bromo-1-pyrimidin-2-ylpyrrolidin-2-one
CAS No: 188533-15-5 Catalog No: AG01FC41 MDL No:
Product Description
Catalog Number:
AG01FC41
Chemical Name:
3-Bromo-1-pyrimidin-2-ylpyrrolidin-2-one
CAS Number:
188533-15-5
Molecular Formula:
C8H8BrN3O
Molecular Weight:
242.0726
IUPAC Name:
3-bromo-1-pyrimidin-2-ylpyrrolidin-2-one
InChI:
InChI=1S/C8H8BrN3O/c9-6-2-5-12(7(6)13)8-10-3-1-4-11-8/h1,3-4,6H,2,5H2
InChI Key:
RYUKCYGBLNMDSK-UHFFFAOYSA-N
SMILES:
BrC1CCN(C1=O)c1ncccn1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.076g/mol
Monoisotopic Mass:
240.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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