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155468-45-4 | Ethanone, 2-bromo-1-(2-pyrimidinyl)-
CAS No: 155468-45-4 Catalog No: AG001NXO MDL No:
Product Description
Catalog Number:
AG001NXO
Chemical Name:
Ethanone, 2-bromo-1-(2-pyrimidinyl)-
CAS Number:
155468-45-4
Molecular Formula:
C6H5BrN2O
Molecular Weight:
201.0207
IUPAC Name:
2-bromo-1-pyrimidin-2-ylethanone
InChI:
InChI=1S/C6H5BrN2O/c7-4-5(10)6-8-2-1-3-9-6/h1-3H,4H2
InChI Key:
WMHOYHBWJCJLLR-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ncccn1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.023g/mol
Monoisotopic Mass:
199.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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