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1588441-02-4 | Ethanone, 2-bromo-1-(2-pyrimidinyl)-, hydrobromide (1:1)
CAS No: 1588441-02-4 Catalog No: AG001QWP MDL No:
Product Description
Catalog Number:
AG001QWP
Chemical Name:
Ethanone, 2-bromo-1-(2-pyrimidinyl)-, hydrobromide (1:1)
CAS Number:
1588441-02-4
Molecular Formula:
C6H6Br2N2O
Molecular Weight:
281.9326
IUPAC Name:
2-bromo-1-pyrimidin-2-ylethanone;hydrobromide
InChI:
InChI=1S/C6H5BrN2O.BrH/c7-4-5(10)6-8-2-1-3-9-6;/h1-3H,4H2;1H
InChI Key:
YLGIMHONOXNWSQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ncccn1.Br
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.883g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.935g/mol
Monoisotopic Mass:
279.885g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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